Hmdb loader

Showing metabocard for Chondroitin D-glucuronate (HMDB0060454)

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enzymes (1) Show 1 protein
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2013-05-17 01:22:00 UTC
Update Date2022-03-07 03:17:45 UTC
HMDB IDHMDB0060454
Secondary Accession Numbers
  • HMDB60454
Metabolite Identification
Common NameChondroitin D-glucuronate
DescriptionChondroitin D-glucuronate belongs to the class of organic compounds known as n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moiety in which the oxygen atom is replaced by an n-acyl group. Chondroitin D-glucuronate is a moderately basic compound (based on its pKa).
Structure
Data?1563866062
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0060454 (Chondroitin D-glucuronate)


  Mrv0541 05161318212D          

 28 29  0  0  0  0            999 V2000
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  6  0  0  0
  6  2  1  4  0  0  0
  7  4  1  1  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12  5  1  0  0  0  0
 13  8  1  0  0  0  0
 13 10  1  0  0  0  0
 12 14  1  1  0  0  0
 15  8  1  0  0  0  0
 16 11  1  0  0  0  0
 17  6  2  0  0  0  0
  8 17  1  6  0  0  0
 18  4  1  0  0  0  0
 19  6  1  0  0  0  0
  9 20  1  1  0  0  0
 10 21  1  1  0  0  0
 11 22  1  6  0  0  0
 23 14  2  0  0  0  0
 24 14  1  0  0  0  0
 25  3  1  0  0  0  0
 15 25  1  1  0  0  0
 26  7  1  0  0  0  0
 26 15  1  0  0  0  0
 27 12  1  0  0  0  0
 27 16  1  0  0  0  0
 13 28  1  1  0  0  0
 16 28  1  1  0  0  0
M  END
Download

3D MOL for HMDB0060454 (Chondroitin D-glucuronate)

HMDB0060454
     RDKit          3D
Chondroitin D-glucuronate
 55 56  0  0  0  0  0  0  0  0999 V2000
   -1.9412   -2.6045    1.8202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4933   -1.7866    0.7567 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4766   -0.9387    0.3156 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8335   -1.0422   -0.9744 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2377   -0.3153   -1.9401 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4431   -1.1814   -2.9295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4441   -1.8917   -2.2725 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4754    0.8993   -1.5659 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4210    1.1002   -2.4581 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8564    0.7556   -0.1948 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0176   -0.3247   -0.2166 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2968   -0.0103    0.1394 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1267   -0.3112   -0.9258 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4102    0.1857   -0.7719 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3632   -0.4119   -1.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5711   -0.0633   -1.7194 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9458   -1.3622   -2.6588 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9478    0.0919    0.6172 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9957    1.4223    1.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1864   -0.9476    1.3802 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5066   -2.2336    0.9539 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7006   -0.7120    1.4103 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4105    0.1189    2.4877 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0561    0.4751    0.7230 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1089    1.3556    0.3145 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9341    1.9300    1.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9671    2.8146    0.5164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8974    1.7609    2.4750 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1365   -3.2781    2.1599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8211   -3.1926    1.4459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2843   -2.0210    2.6771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3922   -1.1426    0.9480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0913    0.0749   -2.5905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1115   -1.9445   -3.3955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0574   -0.5685   -3.7605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1562   -2.6203   -2.8698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1370    1.8035   -1.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7961    1.4096   -3.3036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3628    1.7040    0.1006 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.0786    0.3517 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3476    1.2802   -1.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9317   -1.2238   -3.6456 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0122   -0.2644    0.5661 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1419    2.2042    0.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7940    1.3696    2.0895 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0562    1.6603    1.8725 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5478   -0.8894    2.4460 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8817   -2.2548    0.0492 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1260   -1.6450    1.5798 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5022   -0.4288    3.3249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7944    0.5091    1.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4661    3.4425    1.2866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7724    2.1771    0.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4931    3.4471   -0.2450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6257    2.5407    3.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 14 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 10 24  1  0
 24 25  1  0
 25 26  2  3
 26 27  1  0
 26 28  1  0
 24  3  1  0
 22 12  1  0
  1 29  1  0
  1 30  1  0
  1 31  1  0
  3 32  1  1
  5 33  1  6
  6 34  1  0
  6 35  1  0
  7 36  1  0
  8 37  1  1
  9 38  1  0
 10 39  1  1
 12 40  1  1
 14 41  1  6
 17 42  1  0
 18 43  1  6
 19 44  1  0
 19 45  1  0
 19 46  1  0
 20 47  1  1
 21 48  1  0
 22 49  1  1
 23 50  1  0
 24 51  1  1
 27 52  1  0
 27 53  1  0
 27 54  1  0
 28 55  1  0
M  END
Download

3D SDF for HMDB0060454 (Chondroitin D-glucuronate)


  Mrv0541 05161318212D          

 28 29  0  0  0  0            999 V2000
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  6  0  0  0
  6  2  1  4  0  0  0
  7  4  1  1  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12  5  1  0  0  0  0
 13  8  1  0  0  0  0
 13 10  1  0  0  0  0
 12 14  1  1  0  0  0
 15  8  1  0  0  0  0
 16 11  1  0  0  0  0
 17  6  2  0  0  0  0
  8 17  1  6  0  0  0
 18  4  1  0  0  0  0
 19  6  1  0  0  0  0
  9 20  1  1  0  0  0
 10 21  1  1  0  0  0
 11 22  1  6  0  0  0
 23 14  2  0  0  0  0
 24 14  1  0  0  0  0
 25  3  1  0  0  0  0
 15 25  1  1  0  0  0
 26  7  1  0  0  0  0
 26 15  1  0  0  0  0
 27 12  1  0  0  0  0
 27 16  1  0  0  0  0
 13 28  1  1  0  0  0
 16 28  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0060454

> <DATABASE_NAME>
hmdb

> <SMILES>
CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](C)[C@H](O)[C@H]2O)C(O)=O)[C@H]1N=C(C)O

> <INCHI_IDENTIFIER>
InChI=1S/C16H27NO11/c1-5-9(20)11(22)16(27-12(5)14(23)24)28-13-8(17-6(2)19)15(25-3)26-7(4-18)10(13)21/h5,7-13,15-16,18,20-22H,4H2,1-3H3,(H,17,19)(H,23,24)/t5-,7+,8+,9-,10-,11+,12-,13+,15+,16-/m0/s1

> <INCHI_KEY>
CQQZQIXOOJJXET-KWXMYFLUSA-N

> <FORMULA>
C16H27NO11

> <MOLECULAR_WEIGHT>
409.3857

> <EXACT_MASS>
409.158410711

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
38.99159102049395

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3S,4S,5R,6R)-4,5-dihydroxy-6-{[(2R,3R,4R,5R,6R)-3-hydroxy-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy}-3-methyloxane-2-carboxylic acid

> <ALOGPS_LOGP>
-1.96

> <JCHEM_LOGP>
-2.156606643846826

> <ALOGPS_LOGS>
-0.87

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
7.267481971751091

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.2280610772210734

> <JCHEM_PKA_STRONGEST_BASIC>
1.3744597356385773

> <JCHEM_POLAR_SURFACE_AREA>
187.72999999999996

> <JCHEM_REFRACTIVITY>
87.89760000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.48e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3S,4S,5R,6R)-4,5-dihydroxy-6-{[(2R,3R,4R,5R,6R)-3-hydroxy-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy}-3-methyloxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0060454 (Chondroitin D-glucuronate)

HMDB0060454
     RDKit          3D
Chondroitin D-glucuronate
 55 56  0  0  0  0  0  0  0  0999 V2000
   -1.9412   -2.6045    1.8202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4933   -1.7866    0.7567 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4766   -0.9387    0.3156 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8335   -1.0422   -0.9744 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2377   -0.3153   -1.9401 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4431   -1.1814   -2.9295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4441   -1.8917   -2.2725 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4754    0.8993   -1.5659 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4210    1.1002   -2.4581 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8564    0.7556   -0.1948 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0176   -0.3247   -0.2166 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2968   -0.0103    0.1394 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1267   -0.3112   -0.9258 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4102    0.1857   -0.7719 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3632   -0.4119   -1.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5711   -0.0633   -1.7194 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9458   -1.3622   -2.6588 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9478    0.0919    0.6172 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9957    1.4223    1.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1864   -0.9476    1.3802 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5066   -2.2336    0.9539 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7006   -0.7120    1.4103 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4105    0.1189    2.4877 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0561    0.4751    0.7230 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1089    1.3556    0.3145 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9341    1.9300    1.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9671    2.8146    0.5164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8974    1.7609    2.4750 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1365   -3.2781    2.1599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8211   -3.1926    1.4459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2843   -2.0210    2.6771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3922   -1.1426    0.9480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0913    0.0749   -2.5905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1115   -1.9445   -3.3955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0574   -0.5685   -3.7605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1562   -2.6203   -2.8698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1370    1.8035   -1.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7961    1.4096   -3.3036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3628    1.7040    0.1006 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.0786    0.3517 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3476    1.2802   -1.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9317   -1.2238   -3.6456 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0122   -0.2644    0.5661 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1419    2.2042    0.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7940    1.3696    2.0895 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0562    1.6603    1.8725 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5478   -0.8894    2.4460 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8817   -2.2548    0.0492 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1260   -1.6450    1.5798 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5022   -0.4288    3.3249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7944    0.5091    1.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4661    3.4425    1.2866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7724    2.1771    0.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4931    3.4471   -0.2450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6257    2.5407    3.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 14 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 10 24  1  0
 24 25  1  0
 25 26  2  3
 26 27  1  0
 26 28  1  0
 24  3  1  0
 22 12  1  0
  1 29  1  0
  1 30  1  0
  1 31  1  0
  3 32  1  1
  5 33  1  6
  6 34  1  0
  6 35  1  0
  7 36  1  0
  8 37  1  1
  9 38  1  0
 10 39  1  1
 12 40  1  1
 14 41  1  6
 17 42  1  0
 18 43  1  6
 19 44  1  0
 19 45  1  0
 19 46  1  0
 20 47  1  1
 21 48  1  0
 22 49  1  1
 23 50  1  0
 24 51  1  1
 27 52  1  0
 27 53  1  0
 27 54  1  0
 28 55  1  0
M  END
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PDB for HMDB0060454 (Chondroitin D-glucuronate)

HEADER    PROTEIN                                 16-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-MAY-13         0                                  
HETATM    1  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.001  -6.930   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.334 -11.550   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.001 -10.010   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.667  -7.700   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667  -9.240   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000  -7.700   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.000  -9.240   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0      -1.334  -6.930   0.000  0.00  0.00           N+0
HETATM   18  O   UNK     0       4.001 -11.550   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -2.667  -9.240   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       4.001  -6.930   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       6.668  -6.930   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       8.002  -4.620   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -1.334 -10.010   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       1.334 -10.010   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       1.334  -5.390   0.000  0.00  0.00           O+0
CONECT    1    5                                                            
CONECT    2    6                                                            
CONECT    3   25                                                            
CONECT    4    7   18                                                       
CONECT    5    1    9   12                                                  
CONECT    6    2   17   19                                                  
CONECT    7    4   10   26                                                  
CONECT    8   13   15   17                                                  
CONECT    9    5   11   20                                                  
CONECT   10    7   13   21                                                  
CONECT   11    9   16   22                                                  
CONECT   12    5   14   27                                                  
CONECT   13    8   10   28                                                  
CONECT   14   12   23   24                                                  
CONECT   15    8   25   26                                                  
CONECT   16   11   27   28                                                  
CONECT   17    6    8                                                       
CONECT   18    4                                                            
CONECT   19    6                                                            
CONECT   20    9                                                            
CONECT   21   10                                                            
CONECT   22   11                                                            
CONECT   23   14                                                            
CONECT   24   14                                                            
CONECT   25    3   15                                                       
CONECT   26    7   15                                                       
CONECT   27   12   16                                                       
CONECT   28   13   16                                                       
MASTER        0    0    0    0    0    0    0    0   28    0   58    0
END
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3D PDB for HMDB0060454 (Chondroitin D-glucuronate)

COMPND    HMDB0060454
HETATM    1  C1  UNL     1      -1.941  -2.605   1.820  1.00  0.00           C  
HETATM    2  O1  UNL     1      -1.493  -1.787   0.757  1.00  0.00           O  
HETATM    3  C2  UNL     1      -2.477  -0.939   0.316  1.00  0.00           C  
HETATM    4  O2  UNL     1      -2.834  -1.042  -0.974  1.00  0.00           O  
HETATM    5  C3  UNL     1      -2.238  -0.315  -1.940  1.00  0.00           C  
HETATM    6  C4  UNL     1      -1.443  -1.181  -2.930  1.00  0.00           C  
HETATM    7  O3  UNL     1      -0.444  -1.892  -2.272  1.00  0.00           O  
HETATM    8  C5  UNL     1      -1.475   0.899  -1.566  1.00  0.00           C  
HETATM    9  O4  UNL     1      -0.421   1.100  -2.458  1.00  0.00           O  
HETATM   10  C6  UNL     1      -0.856   0.756  -0.195  1.00  0.00           C  
HETATM   11  O5  UNL     1      -0.018  -0.325  -0.217  1.00  0.00           O  
HETATM   12  C7  UNL     1       1.297  -0.010   0.139  1.00  0.00           C  
HETATM   13  O6  UNL     1       2.127  -0.311  -0.926  1.00  0.00           O  
HETATM   14  C8  UNL     1       3.410   0.186  -0.772  1.00  0.00           C  
HETATM   15  C9  UNL     1       4.363  -0.412  -1.732  1.00  0.00           C  
HETATM   16  O7  UNL     1       5.571  -0.063  -1.719  1.00  0.00           O  
HETATM   17  O8  UNL     1       3.946  -1.362  -2.659  1.00  0.00           O  
HETATM   18  C10 UNL     1       3.948   0.092   0.617  1.00  0.00           C  
HETATM   19  C11 UNL     1       3.996   1.422   1.334  1.00  0.00           C  
HETATM   20  C12 UNL     1       3.186  -0.948   1.380  1.00  0.00           C  
HETATM   21  O9  UNL     1       3.507  -2.234   0.954  1.00  0.00           O  
HETATM   22  C13 UNL     1       1.701  -0.712   1.410  1.00  0.00           C  
HETATM   23  O10 UNL     1       1.411   0.119   2.488  1.00  0.00           O  
HETATM   24  C14 UNL     1      -2.056   0.475   0.723  1.00  0.00           C  
HETATM   25  N1  UNL     1      -3.109   1.356   0.315  1.00  0.00           N  
HETATM   26  C15 UNL     1      -3.934   1.930   1.118  1.00  0.00           C  
HETATM   27  C16 UNL     1      -4.967   2.815   0.516  1.00  0.00           C  
HETATM   28  O11 UNL     1      -3.897   1.761   2.475  1.00  0.00           O  
HETATM   29  H1  UNL     1      -1.136  -3.278   2.160  1.00  0.00           H  
HETATM   30  H2  UNL     1      -2.821  -3.193   1.446  1.00  0.00           H  
HETATM   31  H3  UNL     1      -2.284  -2.021   2.677  1.00  0.00           H  
HETATM   32  H4  UNL     1      -3.392  -1.143   0.948  1.00  0.00           H  
HETATM   33  H5  UNL     1      -3.091   0.075  -2.590  1.00  0.00           H  
HETATM   34  H6  UNL     1      -2.112  -1.945  -3.395  1.00  0.00           H  
HETATM   35  H7  UNL     1      -1.057  -0.568  -3.761  1.00  0.00           H  
HETATM   36  H8  UNL     1      -0.156  -2.620  -2.870  1.00  0.00           H  
HETATM   37  H9  UNL     1      -2.137   1.803  -1.514  1.00  0.00           H  
HETATM   38  H10 UNL     1      -0.796   1.410  -3.304  1.00  0.00           H  
HETATM   39  H11 UNL     1      -0.363   1.704   0.101  1.00  0.00           H  
HETATM   40  H12 UNL     1       1.299   1.079   0.352  1.00  0.00           H  
HETATM   41  H13 UNL     1       3.348   1.280  -1.046  1.00  0.00           H  
HETATM   42  H14 UNL     1       3.932  -1.224  -3.646  1.00  0.00           H  
HETATM   43  H15 UNL     1       5.012  -0.264   0.566  1.00  0.00           H  
HETATM   44  H16 UNL     1       4.142   2.204   0.571  1.00  0.00           H  
HETATM   45  H17 UNL     1       4.794   1.370   2.089  1.00  0.00           H  
HETATM   46  H18 UNL     1       3.056   1.660   1.873  1.00  0.00           H  
HETATM   47  H19 UNL     1       3.548  -0.889   2.446  1.00  0.00           H  
HETATM   48  H20 UNL     1       3.882  -2.255   0.049  1.00  0.00           H  
HETATM   49  H21 UNL     1       1.126  -1.645   1.580  1.00  0.00           H  
HETATM   50  H22 UNL     1       1.502  -0.429   3.325  1.00  0.00           H  
HETATM   51  H23 UNL     1      -1.794   0.509   1.774  1.00  0.00           H  
HETATM   52  H24 UNL     1      -5.466   3.443   1.287  1.00  0.00           H  
HETATM   53  H25 UNL     1      -5.772   2.177   0.078  1.00  0.00           H  
HETATM   54  H26 UNL     1      -4.493   3.447  -0.245  1.00  0.00           H  
HETATM   55  H27 UNL     1      -3.626   2.541   3.048  1.00  0.00           H  
CONECT    1    2   29   30   31
CONECT    2    3
CONECT    3    4   24   32
CONECT    4    5
CONECT    5    6    8   33
CONECT    6    7   34   35
CONECT    7   36
CONECT    8    9   10   37
CONECT    9   38
CONECT   10   11   24   39
CONECT   11   12
CONECT   12   13   22   40
CONECT   13   14
CONECT   14   15   18   41
CONECT   15   16   16   17
CONECT   17   42
CONECT   18   19   20   43
CONECT   19   44   45   46
CONECT   20   21   22   47
CONECT   21   48
CONECT   22   23   49
CONECT   23   50
CONECT   24   25   51
CONECT   25   26   26
CONECT   26   27   28
CONECT   27   52   53   54
CONECT   28   55
END
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SMILES for HMDB0060454 (Chondroitin D-glucuronate)

CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](C)[C@H](O)[C@H]2O)C(O)=O)[C@H]1N=C(C)O
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INCHI for HMDB0060454 (Chondroitin D-glucuronate)

InChI=1S/C16H27NO11/c1-5-9(20)11(22)16(27-12(5)14(23)24)28-13-8(17-6(2)19)15(25-3)26-7(4-18)10(13)21/h5,7-13,15-16,18,20-22H,4H2,1-3H3,(H,17,19)(H,23,24)/t5-,7+,8+,9-,10-,11+,12-,13+,15+,16-/m0/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
Chondroitin D-glucuronic acidGenerator
Chemical FormulaC16H27NO11
Average Molecular Weight409.3857
Monoisotopic Molecular Weight409.158410711
IUPAC Name(2S,3S,4S,5R,6R)-4,5-dihydroxy-6-{[(2R,3R,4R,5R,6R)-3-hydroxy-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy}-3-methyloxane-2-carboxylic acid
Traditional Name(2S,3S,4S,5R,6R)-4,5-dihydroxy-6-{[(2R,3R,4R,5R,6R)-3-hydroxy-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy}-3-methyloxane-2-carboxylic acid
CAS Registry NumberNot Available
SMILES
CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](C)[C@H](O)[C@H]2O)C(O)=O)[C@H]1N=C(C)O
InChI Identifier
InChI=1S/C16H27NO11/c1-5-9(20)11(22)16(27-12(5)14(23)24)28-13-8(17-6(2)19)15(25-3)26-7(4-18)10(13)21/h5,7-13,15-16,18,20-22H,4H2,1-3H3,(H,17,19)(H,23,24)/t5-,7+,8+,9-,10-,11+,12-,13+,15+,16-/m0/s1
InChI KeyCQQZQIXOOJJXET-KWXMYFLUSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moiety in which the oxygen atom is replaced by an n-acyl group.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentN-acyl-alpha-hexosamines
Alternative Parents
Substituents
  • N-acyl-alpha-hexosamine
  • Glucuronic acid or derivatives
  • Glycosyl compound
  • O-glycosyl compound
  • Monosaccharide
  • Oxane
  • Pyran
  • Secondary alcohol
  • Acetal
  • Carboximidic acid
  • Carboximidic acid derivative
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Oxacycle
  • Organoheterocyclic compound
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Organic oxide
  • Hydrocarbon derivative
  • Carbonyl group
  • Organonitrogen compound
  • Alcohol
  • Primary alcohol
  • Organic nitrogen compound
  • Organopnictogen compound
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Not AvailableNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility54.8 g/LALOGPS
logP-2ALOGPS
logP-2.2ChemAxon
logS-0.87ALOGPS
pKa (Strongest Acidic)3.23ChemAxon
pKa (Strongest Basic)1.37ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area187.73 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity87.9 m³·mol⁻¹ChemAxon
Polarizability38.99 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+193.48731661259
DarkChem[M-H]-184.41631661259
DeepCCS[M+H]+192.74630932474
DeepCCS[M-H]-190.91430932474
DeepCCS[M-2H]-224.45830932474
DeepCCS[M+Na]+198.35230932474
AllCCS[M+H]+192.332859911
AllCCS[M+H-H2O]+189.932859911
AllCCS[M+NH4]+194.532859911
AllCCS[M+Na]+195.132859911
AllCCS[M-H]-192.532859911
AllCCS[M+Na-2H]-192.932859911
AllCCS[M+HCOO]-193.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Chondroitin D-glucuronateCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](C)[C@H](O)[C@H]2O)C(O)=O)[C@H]1N=C(C)O4270.6Standard polar33892256
Chondroitin D-glucuronateCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](C)[C@H](O)[C@H]2O)C(O)=O)[C@H]1N=C(C)O3040.5Standard non polar33892256
Chondroitin D-glucuronateCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](C)[C@H](O)[C@H]2O)C(O)=O)[C@H]1N=C(C)O3057.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Chondroitin D-glucuronate,1TMS,isomer #1CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O)[C@H]2O)[C@H]1N=C(C)O2847.5Semi standard non polar33892256
Chondroitin D-glucuronate,1TMS,isomer #2CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O)[C@H]2O)[C@H]1N=C(C)O2844.6Semi standard non polar33892256
Chondroitin D-glucuronate,1TMS,isomer #3CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H]1N=C(C)O2850.7Semi standard non polar33892256
Chondroitin D-glucuronate,1TMS,isomer #4CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H]1N=C(C)O2845.5Semi standard non polar33892256
Chondroitin D-glucuronate,1TMS,isomer #5CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](C)[C@H](O)[C@H]2O)[C@H]1N=C(C)O2836.7Semi standard non polar33892256
Chondroitin D-glucuronate,1TMS,isomer #6CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O)[C@H]2O)[C@H]1N=C(C)O[Si](C)(C)C2909.0Semi standard non polar33892256
Chondroitin D-glucuronate,2TMS,isomer #1CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O)[C@H]2O)[C@H]1N=C(C)O2799.9Semi standard non polar33892256
Chondroitin D-glucuronate,2TMS,isomer #10CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H]1N=C(C)O2791.7Semi standard non polar33892256
Chondroitin D-glucuronate,2TMS,isomer #11CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]1N=C(C)O2804.8Semi standard non polar33892256
Chondroitin D-glucuronate,2TMS,isomer #12CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H]1N=C(C)O[Si](C)(C)C2850.5Semi standard non polar33892256
Chondroitin D-glucuronate,2TMS,isomer #13CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H]1N=C(C)O2798.4Semi standard non polar33892256
Chondroitin D-glucuronate,2TMS,isomer #14CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H]1N=C(C)O[Si](C)(C)C2857.3Semi standard non polar33892256
Chondroitin D-glucuronate,2TMS,isomer #15CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](C)[C@H](O)[C@H]2O)[C@H]1N=C(C)O[Si](C)(C)C2816.6Semi standard non polar33892256
Chondroitin D-glucuronate,2TMS,isomer #2CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](C)[C@H](O)[C@H]2O)[C@H]1N=C(C)O2795.8Semi standard non polar33892256
Chondroitin D-glucuronate,2TMS,isomer #3CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H]1N=C(C)O2815.5Semi standard non polar33892256
Chondroitin D-glucuronate,2TMS,isomer #4CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H]1N=C(C)O2814.3Semi standard non polar33892256
Chondroitin D-glucuronate,2TMS,isomer #5CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O)[C@H]2O)[C@H]1N=C(C)O[Si](C)(C)C2841.6Semi standard non polar33892256
Chondroitin D-glucuronate,2TMS,isomer #6CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](C)[C@H](O)[C@H]2O)[C@H]1N=C(C)O2777.0Semi standard non polar33892256
Chondroitin D-glucuronate,2TMS,isomer #7CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H]1N=C(C)O2802.5Semi standard non polar33892256
Chondroitin D-glucuronate,2TMS,isomer #8CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H]1N=C(C)O2796.0Semi standard non polar33892256
Chondroitin D-glucuronate,2TMS,isomer #9CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O)[C@H]2O)[C@H]1N=C(C)O[Si](C)(C)C2821.8Semi standard non polar33892256
Chondroitin D-glucuronate,3TMS,isomer #1CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](C)[C@H](O)[C@H]2O)[C@H]1N=C(C)O2761.3Semi standard non polar33892256
Chondroitin D-glucuronate,3TMS,isomer #10CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H]1N=C(C)O[Si](C)(C)C2795.5Semi standard non polar33892256
Chondroitin D-glucuronate,3TMS,isomer #11CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H]1N=C(C)O2782.4Semi standard non polar33892256
Chondroitin D-glucuronate,3TMS,isomer #12CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H]1N=C(C)O2768.0Semi standard non polar33892256
Chondroitin D-glucuronate,3TMS,isomer #13CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](C)[C@H](O)[C@H]2O)[C@H]1N=C(C)O[Si](C)(C)C2733.9Semi standard non polar33892256
Chondroitin D-glucuronate,3TMS,isomer #14CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]1N=C(C)O2771.9Semi standard non polar33892256
Chondroitin D-glucuronate,3TMS,isomer #15CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H]1N=C(C)O[Si](C)(C)C2782.3Semi standard non polar33892256
Chondroitin D-glucuronate,3TMS,isomer #16CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H]1N=C(C)O[Si](C)(C)C2765.2Semi standard non polar33892256
Chondroitin D-glucuronate,3TMS,isomer #17CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]1N=C(C)O2787.4Semi standard non polar33892256
Chondroitin D-glucuronate,3TMS,isomer #18CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H]1N=C(C)O[Si](C)(C)C2787.1Semi standard non polar33892256
Chondroitin D-glucuronate,3TMS,isomer #19CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]1N=C(C)O[Si](C)(C)C2785.0Semi standard non polar33892256
Chondroitin D-glucuronate,3TMS,isomer #2CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H]1N=C(C)O2802.0Semi standard non polar33892256
Chondroitin D-glucuronate,3TMS,isomer #20CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H]1N=C(C)O[Si](C)(C)C2780.4Semi standard non polar33892256
Chondroitin D-glucuronate,3TMS,isomer #3CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H]1N=C(C)O2786.1Semi standard non polar33892256
Chondroitin D-glucuronate,3TMS,isomer #4CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O)[C@H]2O)[C@H]1N=C(C)O[Si](C)(C)C2760.1Semi standard non polar33892256
Chondroitin D-glucuronate,3TMS,isomer #5CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H]1N=C(C)O2806.7Semi standard non polar33892256
Chondroitin D-glucuronate,3TMS,isomer #6CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H]1N=C(C)O2801.9Semi standard non polar33892256
Chondroitin D-glucuronate,3TMS,isomer #7CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](C)[C@H](O)[C@H]2O)[C@H]1N=C(C)O[Si](C)(C)C2768.7Semi standard non polar33892256
Chondroitin D-glucuronate,3TMS,isomer #8CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]1N=C(C)O2795.2Semi standard non polar33892256
Chondroitin D-glucuronate,3TMS,isomer #9CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H]1N=C(C)O[Si](C)(C)C2799.7Semi standard non polar33892256
Chondroitin D-glucuronate,4TMS,isomer #1CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H]1N=C(C)O2789.2Semi standard non polar33892256
Chondroitin D-glucuronate,4TMS,isomer #10CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]1N=C(C)O[Si](C)(C)C2746.0Semi standard non polar33892256
Chondroitin D-glucuronate,4TMS,isomer #11CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]1N=C(C)O2755.1Semi standard non polar33892256
Chondroitin D-glucuronate,4TMS,isomer #12CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H]1N=C(C)O[Si](C)(C)C2746.4Semi standard non polar33892256
Chondroitin D-glucuronate,4TMS,isomer #13CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H]1N=C(C)O[Si](C)(C)C2724.5Semi standard non polar33892256
Chondroitin D-glucuronate,4TMS,isomer #14CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]1N=C(C)O[Si](C)(C)C2723.7Semi standard non polar33892256
Chondroitin D-glucuronate,4TMS,isomer #15CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]1N=C(C)O[Si](C)(C)C2744.4Semi standard non polar33892256
Chondroitin D-glucuronate,4TMS,isomer #2CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H]1N=C(C)O2778.0Semi standard non polar33892256
Chondroitin D-glucuronate,4TMS,isomer #3CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](C)[C@H](O)[C@H]2O)[C@H]1N=C(C)O[Si](C)(C)C2729.2Semi standard non polar33892256
Chondroitin D-glucuronate,4TMS,isomer #4CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]1N=C(C)O2778.8Semi standard non polar33892256
Chondroitin D-glucuronate,4TMS,isomer #5CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H]1N=C(C)O[Si](C)(C)C2756.1Semi standard non polar33892256
Chondroitin D-glucuronate,4TMS,isomer #6CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H]1N=C(C)O[Si](C)(C)C2732.2Semi standard non polar33892256
Chondroitin D-glucuronate,4TMS,isomer #7CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]1N=C(C)O2782.5Semi standard non polar33892256
Chondroitin D-glucuronate,4TMS,isomer #8CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H]1N=C(C)O[Si](C)(C)C2769.6Semi standard non polar33892256
Chondroitin D-glucuronate,4TMS,isomer #9CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H]1N=C(C)O[Si](C)(C)C2757.4Semi standard non polar33892256
Chondroitin D-glucuronate,5TMS,isomer #1CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]1N=C(C)O2769.9Semi standard non polar33892256
Chondroitin D-glucuronate,5TMS,isomer #2CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H]1N=C(C)O[Si](C)(C)C2763.5Semi standard non polar33892256
Chondroitin D-glucuronate,5TMS,isomer #3CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H]1N=C(C)O[Si](C)(C)C2743.7Semi standard non polar33892256
Chondroitin D-glucuronate,5TMS,isomer #4CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]1N=C(C)O[Si](C)(C)C2740.4Semi standard non polar33892256
Chondroitin D-glucuronate,5TMS,isomer #5CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]1N=C(C)O[Si](C)(C)C2746.7Semi standard non polar33892256
Chondroitin D-glucuronate,5TMS,isomer #6CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]1N=C(C)O[Si](C)(C)C2721.2Semi standard non polar33892256
Chondroitin D-glucuronate,6TMS,isomer #1CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H]1N=C(C)O[Si](C)(C)C2762.0Semi standard non polar33892256
Chondroitin D-glucuronate,1TBDMS,isomer #1CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O)[C@H]2O)[C@H]1N=C(C)O3051.4Semi standard non polar33892256
Chondroitin D-glucuronate,1TBDMS,isomer #2CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O)[C@H]2O)[C@H]1N=C(C)O3023.9Semi standard non polar33892256
Chondroitin D-glucuronate,1TBDMS,isomer #3CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H]1N=C(C)O3048.5Semi standard non polar33892256
Chondroitin D-glucuronate,1TBDMS,isomer #4CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H]1N=C(C)O3041.2Semi standard non polar33892256
Chondroitin D-glucuronate,1TBDMS,isomer #5CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](O)[C@H]2O)[C@H]1N=C(C)O3056.5Semi standard non polar33892256
Chondroitin D-glucuronate,1TBDMS,isomer #6CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O)[C@H]2O)[C@H]1N=C(C)O[Si](C)(C)C(C)(C)C3119.7Semi standard non polar33892256
Chondroitin D-glucuronate,2TBDMS,isomer #1CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O)[C@H]2O)[C@H]1N=C(C)O3192.5Semi standard non polar33892256
Chondroitin D-glucuronate,2TBDMS,isomer #10CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H]1N=C(C)O3214.2Semi standard non polar33892256
Chondroitin D-glucuronate,2TBDMS,isomer #11CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H]1N=C(C)O3214.2Semi standard non polar33892256
Chondroitin D-glucuronate,2TBDMS,isomer #12CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H]1N=C(C)O[Si](C)(C)C(C)(C)C3284.6Semi standard non polar33892256
Chondroitin D-glucuronate,2TBDMS,isomer #13CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H]1N=C(C)O3222.3Semi standard non polar33892256
Chondroitin D-glucuronate,2TBDMS,isomer #14CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H]1N=C(C)O[Si](C)(C)C(C)(C)C3288.0Semi standard non polar33892256
Chondroitin D-glucuronate,2TBDMS,isomer #15CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](O)[C@H]2O)[C@H]1N=C(C)O[Si](C)(C)C(C)(C)C3260.7Semi standard non polar33892256
Chondroitin D-glucuronate,2TBDMS,isomer #2CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](O)[C@H]2O)[C@H]1N=C(C)O3202.5Semi standard non polar33892256
Chondroitin D-glucuronate,2TBDMS,isomer #3CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H]1N=C(C)O3215.5Semi standard non polar33892256
Chondroitin D-glucuronate,2TBDMS,isomer #4CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H]1N=C(C)O3212.8Semi standard non polar33892256
Chondroitin D-glucuronate,2TBDMS,isomer #5CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O)[C@H]2O)[C@H]1N=C(C)O[Si](C)(C)C(C)(C)C3257.2Semi standard non polar33892256
Chondroitin D-glucuronate,2TBDMS,isomer #6CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](O)[C@H]2O)[C@H]1N=C(C)O3187.5Semi standard non polar33892256
Chondroitin D-glucuronate,2TBDMS,isomer #7CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H]1N=C(C)O3205.1Semi standard non polar33892256
Chondroitin D-glucuronate,2TBDMS,isomer #8CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H]1N=C(C)O3198.7Semi standard non polar33892256
Chondroitin D-glucuronate,2TBDMS,isomer #9CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O)[C@H]2O)[C@H]1N=C(C)O[Si](C)(C)C(C)(C)C3240.7Semi standard non polar33892256
Chondroitin D-glucuronate,3TBDMS,isomer #1CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](O)[C@H]2O)[C@H]1N=C(C)O3378.2Semi standard non polar33892256
Chondroitin D-glucuronate,3TBDMS,isomer #10CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H]1N=C(C)O[Si](C)(C)C(C)(C)C3439.3Semi standard non polar33892256
Chondroitin D-glucuronate,3TBDMS,isomer #11CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H]1N=C(C)O3390.7Semi standard non polar33892256
Chondroitin D-glucuronate,3TBDMS,isomer #12CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H]1N=C(C)O3389.4Semi standard non polar33892256
Chondroitin D-glucuronate,3TBDMS,isomer #13CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](O)[C@H]2O)[C@H]1N=C(C)O[Si](C)(C)C(C)(C)C3392.9Semi standard non polar33892256
Chondroitin D-glucuronate,3TBDMS,isomer #14CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H]1N=C(C)O3385.9Semi standard non polar33892256
Chondroitin D-glucuronate,3TBDMS,isomer #15CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H]1N=C(C)O[Si](C)(C)C(C)(C)C3428.0Semi standard non polar33892256
Chondroitin D-glucuronate,3TBDMS,isomer #16CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H]1N=C(C)O[Si](C)(C)C(C)(C)C3419.9Semi standard non polar33892256
Chondroitin D-glucuronate,3TBDMS,isomer #17CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H]1N=C(C)O3404.2Semi standard non polar33892256
Chondroitin D-glucuronate,3TBDMS,isomer #18CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H]1N=C(C)O[Si](C)(C)C(C)(C)C3442.8Semi standard non polar33892256
Chondroitin D-glucuronate,3TBDMS,isomer #19CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H]1N=C(C)O[Si](C)(C)C(C)(C)C3441.7Semi standard non polar33892256
Chondroitin D-glucuronate,3TBDMS,isomer #2CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H]1N=C(C)O3397.3Semi standard non polar33892256
Chondroitin D-glucuronate,3TBDMS,isomer #20CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H]1N=C(C)O[Si](C)(C)C(C)(C)C3450.8Semi standard non polar33892256
Chondroitin D-glucuronate,3TBDMS,isomer #3CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H]1N=C(C)O3396.3Semi standard non polar33892256
Chondroitin D-glucuronate,3TBDMS,isomer #4CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O)[C@H]2O)[C@H]1N=C(C)O[Si](C)(C)C(C)(C)C3397.3Semi standard non polar33892256
Chondroitin D-glucuronate,3TBDMS,isomer #5CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H]1N=C(C)O3404.3Semi standard non polar33892256
Chondroitin D-glucuronate,3TBDMS,isomer #6CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H]1N=C(C)O3409.4Semi standard non polar33892256
Chondroitin D-glucuronate,3TBDMS,isomer #7CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](O)[C@H]2O)[C@H]1N=C(C)O[Si](C)(C)C(C)(C)C3421.8Semi standard non polar33892256
Chondroitin D-glucuronate,3TBDMS,isomer #8CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H]1N=C(C)O3393.1Semi standard non polar33892256
Chondroitin D-glucuronate,3TBDMS,isomer #9CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H]1N=C(C)O[Si](C)(C)C(C)(C)C3444.6Semi standard non polar33892256
Chondroitin D-glucuronate,4TBDMS,isomer #1CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H]1N=C(C)O3572.0Semi standard non polar33892256
Chondroitin D-glucuronate,4TBDMS,isomer #10CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H]1N=C(C)O[Si](C)(C)C(C)(C)C3600.9Semi standard non polar33892256
Chondroitin D-glucuronate,4TBDMS,isomer #11CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H]1N=C(C)O3543.5Semi standard non polar33892256
Chondroitin D-glucuronate,4TBDMS,isomer #12CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H]1N=C(C)O[Si](C)(C)C(C)(C)C3562.9Semi standard non polar33892256
Chondroitin D-glucuronate,4TBDMS,isomer #13CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H]1N=C(C)O[Si](C)(C)C(C)(C)C3571.1Semi standard non polar33892256
Chondroitin D-glucuronate,4TBDMS,isomer #14CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H]1N=C(C)O[Si](C)(C)C(C)(C)C3569.2Semi standard non polar33892256
Chondroitin D-glucuronate,4TBDMS,isomer #15CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H]1N=C(C)O[Si](C)(C)C(C)(C)C3581.8Semi standard non polar33892256
Chondroitin D-glucuronate,4TBDMS,isomer #2CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H]1N=C(C)O3572.0Semi standard non polar33892256
Chondroitin D-glucuronate,4TBDMS,isomer #3CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](O)[C@H]2O)[C@H]1N=C(C)O[Si](C)(C)C(C)(C)C3561.7Semi standard non polar33892256
Chondroitin D-glucuronate,4TBDMS,isomer #4CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H]1N=C(C)O3577.1Semi standard non polar33892256
Chondroitin D-glucuronate,4TBDMS,isomer #5CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H]1N=C(C)O[Si](C)(C)C(C)(C)C3590.2Semi standard non polar33892256
Chondroitin D-glucuronate,4TBDMS,isomer #6CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H]1N=C(C)O[Si](C)(C)C(C)(C)C3588.6Semi standard non polar33892256
Chondroitin D-glucuronate,4TBDMS,isomer #7CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H]1N=C(C)O3582.4Semi standard non polar33892256
Chondroitin D-glucuronate,4TBDMS,isomer #8CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H]1N=C(C)O[Si](C)(C)C(C)(C)C3600.0Semi standard non polar33892256
Chondroitin D-glucuronate,4TBDMS,isomer #9CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H]1N=C(C)O[Si](C)(C)C(C)(C)C3613.3Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Chondroitin D-glucuronate GC-MS (Non-derivatized) - 70eV, Positivesplash10-004u-8429000000-ad4d2bd75ae186c566ba2017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chondroitin D-glucuronate GC-MS (4 TMS) - 70eV, Positivesplash10-001i-4901037000-953face800f0f03f7f5f2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chondroitin D-glucuronate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chondroitin D-glucuronate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chondroitin D-glucuronate 10V, Positive-QTOFsplash10-00ko-0189200000-d267a593cc56460184d72017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chondroitin D-glucuronate 20V, Positive-QTOFsplash10-014u-0393000000-0cfb6145407f92ebb0f22017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chondroitin D-glucuronate 40V, Positive-QTOFsplash10-014u-5490000000-7885ed8627c9099e1d112017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chondroitin D-glucuronate 10V, Negative-QTOFsplash10-052o-4429400000-125de07b11a07e8ca83f2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chondroitin D-glucuronate 20V, Negative-QTOFsplash10-0016-9667000000-7bafd2ce33639cd6ac0e2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chondroitin D-glucuronate 40V, Negative-QTOFsplash10-0a4i-9200000000-32715dfd75a3905864872017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chondroitin D-glucuronate 10V, Positive-QTOFsplash10-03di-0003900000-60dcb11a680da889d5e02021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chondroitin D-glucuronate 20V, Positive-QTOFsplash10-0cg3-1965200000-3adfd54b21d28ae6ca4b2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chondroitin D-glucuronate 40V, Positive-QTOFsplash10-0mvi-9431000000-10e383835c0c8a51bf562021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chondroitin D-glucuronate 10V, Negative-QTOFsplash10-0a4i-0005900000-dde59d7e6e6fd5ca99d72021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chondroitin D-glucuronate 20V, Negative-QTOFsplash10-0a4i-4419300000-f56aefa299fba11127382021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chondroitin D-glucuronate 40V, Negative-QTOFsplash10-0006-9211000000-005d84f99563f16b55982021-10-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131769912
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Magrane M: UniProt Knowledgebase: a hub of integrated protein data. Database (Oxford). 2011 Mar 29;2011:bar009. doi: 10.1093/database/bar009. Print 2011. [PubMed:21447597 ]

Enzymes

Enzyme Details
1. Dermatan-sulfate epimerase
General function:
Involved in chondroitin-glucuronate 5-epimerase activity
Specific function:
Converts D-glucuronic acid to L-iduronic acid (IdoUA) residues.
Gene Name:
DSE
Uniprot ID:
Q9UL01
Molecular weight:
109772.235
Reactions
Chondroitin D-glucuronate → dermatan L-iduronatedetails