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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 10:56:39 UTC

Update Date

2022-09-22 17:44:23 UTC

HMDB ID

HMDB0252850

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Glycerophosphoserine

Description

2-amino-3-{[(2,3-dihydroxypropoxy)(hydroxy)phosphoryl]oxy}propanoic acid belongs to the class of organic compounds known as glycerophosphoserines. These are lipids containing a glycerol moiety carrying a phosphoserine at the 3-position. Based on a literature review very few articles have been published on 2-amino-3-{[(2,3-dihydroxypropoxy)(hydroxy)phosphoryl]oxy}propanoic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). Glycerophosphoserine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Glycerophosphoserine is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0258350
     RDKit          3D
sn-glycero-3-phosphoserine
 30 29  0  0  0  0  0  0  0  0999 V2000
    3.8531    1.1584    0.9684 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6269    0.1066    0.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3184    0.2133   -0.7065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3115    0.0949    0.2515 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2837    0.0814   -0.4718 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.0452   -0.7457   -1.7660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5580    1.6938   -1.0361 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2978   -0.4770    0.5527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3850   -0.1048    1.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5132   -0.1123    0.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4507   -1.3822   -0.4855 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8342    0.1387    0.6462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9243    1.4298    1.2315 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7132   -0.4476   -0.6862 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4749   -1.0124   -1.8818 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0252   -0.5116   -0.2603 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1456    1.9167    0.7002 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7682    1.5795    1.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3794   -0.8550    0.7822 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3060    1.1519   -1.2885 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3209   -0.6599   -1.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1824    1.8796   -1.8796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4844    0.7880    1.6788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7002   -0.9735    1.8527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2116    0.6891   -0.6747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7551   -1.2885   -1.4548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6086    0.1281   -0.1303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1258   -0.5712    1.4687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1641    1.9299    0.8788 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2810   -0.5652    0.7447 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  2  0
  5  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
  2 14  1  0
 14 15  2  0
 14 16  1  0
  1 17  1  0
  1 18  1  0
  2 19  1  0
  3 20  1  0
  3 21  1  0
  7 22  1  0
  9 23  1  0
  9 24  1  0
 10 25  1  0
 11 26  1  0
 12 27  1  0
 12 28  1  0
 13 29  1  0
 16 30  1  0
M  END


  Mrv1533004171518072D          

 16 15  0  0  0  0            999 V2000
    2.0625    0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    2.8579    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    2.4454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    3.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    3.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    5.0013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    6.4302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0252850

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(COP(O)(=O)OCC(O)CO)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H14NO8P/c7-5(6(10)11)3-15-16(12,13)14-2-4(9)1-8/h4-5,8-9H,1-3,7H2,(H,10,11)(H,12,13)

> <INCHI_KEY>
ZWZWYGMENQVNFU-UHFFFAOYSA-N

> <FORMULA>
C6H14NO8P

> <MOLECULAR_WEIGHT>
259.151

> <EXACT_MASS>
259.045703413

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
30

> <JCHEM_AVERAGE_POLARIZABILITY>
21.578286582678363

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-3-{[(2,3-dihydroxypropoxy)(hydroxy)phosphoryl]oxy}propanoic acid

> <ALOGPS_LOGP>
-2.80

> <JCHEM_LOGP>
-4.308619109424487

> <ALOGPS_LOGS>
-1.12

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
2.2134312355208756

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.508008393069721

> <JCHEM_PKA_STRONGEST_BASIC>
9.37658104597518

> <JCHEM_POLAR_SURFACE_AREA>
159.54

> <JCHEM_REFRACTIVITY>
49.651

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.96e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
L-α-glycerophosphorylserine

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0258350
     RDKit          3D
sn-glycero-3-phosphoserine
 30 29  0  0  0  0  0  0  0  0999 V2000
    3.8531    1.1584    0.9684 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6269    0.1066    0.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3184    0.2133   -0.7065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3115    0.0949    0.2515 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2837    0.0814   -0.4718 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.0452   -0.7457   -1.7660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5580    1.6938   -1.0361 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2978   -0.4770    0.5527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3850   -0.1048    1.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5132   -0.1123    0.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4507   -1.3822   -0.4855 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8342    0.1387    0.6462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9243    1.4298    1.2315 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7132   -0.4476   -0.6862 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4749   -1.0124   -1.8818 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0252   -0.5116   -0.2603 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1456    1.9167    0.7002 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7682    1.5795    1.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3794   -0.8550    0.7822 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3060    1.1519   -1.2885 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3209   -0.6599   -1.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1824    1.8796   -1.8796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4844    0.7880    1.6788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7002   -0.9735    1.8527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2116    0.6891   -0.6747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7551   -1.2885   -1.4548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6086    0.1281   -0.1303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1258   -0.5712    1.4687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1641    1.9299    0.8788 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2810   -0.5652    0.7447 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  2  0
  5  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
  2 14  1  0
 14 15  2  0
 14 16  1  0
  1 17  1  0
  1 18  1  0
  2 19  1  0
  3 20  1  0
  3 21  1  0
  7 22  1  0
  9 23  1  0
  9 24  1  0
 10 25  1  0
 11 26  1  0
 12 27  1  0
 12 28  1  0
 13 29  1  0
 16 30  1  0
M  END

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  N   UNK     0       3.850   1.334   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       2.310   1.334   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.540   2.667   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       2.310   4.001   0.000  0.00  0.00           O+0
HETATM    5  P   UNK     0       1.540   5.335   0.000  0.00  0.00           P+0
HETATM    6  O   UNK     0       0.206   4.565   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       2.874   6.105   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       0.770   6.668   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       1.540   8.002   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.770   9.336   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -0.770   9.336   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       1.540  10.669   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       0.770  12.003   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       1.540   0.000   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       2.310  -1.334   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   14                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7    8                                             
CONECT    6    5                                                            
CONECT    7    5                                                            
CONECT    8    5    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12                                                            
CONECT   14    2   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14                                                            
MASTER        0    0    0    0    0    0    0    0   16    0   30    0
END

COMPND    HMDB0258350
HETATM    1  N1  UNL     1       3.853   1.158   0.968  1.00  0.00           N  
HETATM    2  C1  UNL     1       3.627   0.107   0.037  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.318   0.213  -0.706  1.00  0.00           C  
HETATM    4  O1  UNL     1       1.312   0.095   0.251  1.00  0.00           O  
HETATM    5  P1  UNL     1      -0.284   0.081  -0.472  1.00  0.00           P  
HETATM    6  O2  UNL     1      -0.045  -0.746  -1.766  1.00  0.00           O  
HETATM    7  O3  UNL     1      -0.558   1.694  -1.036  1.00  0.00           O  
HETATM    8  O4  UNL     1      -1.298  -0.477   0.553  1.00  0.00           O  
HETATM    9  C3  UNL     1      -2.385  -0.105   1.187  1.00  0.00           C  
HETATM   10  C4  UNL     1      -3.513  -0.112   0.069  1.00  0.00           C  
HETATM   11  O5  UNL     1      -3.451  -1.382  -0.485  1.00  0.00           O  
HETATM   12  C5  UNL     1      -4.834   0.139   0.646  1.00  0.00           C  
HETATM   13  O6  UNL     1      -4.924   1.430   1.232  1.00  0.00           O  
HETATM   14  C6  UNL     1       4.713  -0.448  -0.686  1.00  0.00           C  
HETATM   15  O7  UNL     1       4.475  -1.012  -1.882  1.00  0.00           O  
HETATM   16  O8  UNL     1       6.025  -0.512  -0.260  1.00  0.00           O  
HETATM   17  H1  UNL     1       3.146   1.917   0.700  1.00  0.00           H  
HETATM   18  H2  UNL     1       4.768   1.580   1.082  1.00  0.00           H  
HETATM   19  H3  UNL     1       3.379  -0.855   0.782  1.00  0.00           H  
HETATM   20  H4  UNL     1       2.306   1.152  -1.288  1.00  0.00           H  
HETATM   21  H5  UNL     1       2.321  -0.660  -1.411  1.00  0.00           H  
HETATM   22  H6  UNL     1      -0.182   1.880  -1.880  1.00  0.00           H  
HETATM   23  H7  UNL     1      -2.484   0.788   1.679  1.00  0.00           H  
HETATM   24  H8  UNL     1      -2.700  -0.973   1.853  1.00  0.00           H  
HETATM   25  H9  UNL     1      -3.212   0.689  -0.675  1.00  0.00           H  
HETATM   26  H10 UNL     1      -3.755  -1.289  -1.455  1.00  0.00           H  
HETATM   27  H11 UNL     1      -5.609   0.128  -0.130  1.00  0.00           H  
HETATM   28  H12 UNL     1      -5.126  -0.571   1.469  1.00  0.00           H  
HETATM   29  H13 UNL     1      -4.164   1.930   0.879  1.00  0.00           H  
HETATM   30  H14 UNL     1       6.281  -0.565   0.745  1.00  0.00           H  
CONECT    1    2   17   18
CONECT    2    3   14   19
CONECT    3    4   20   21
CONECT    4    5
CONECT    5    6    6    7    8
CONECT    7   22
CONECT    8    9
CONECT    9   10   23   24
CONECT   10   11   12   25
CONECT   11   26
CONECT   12   13   27   28
CONECT   13   29
CONECT   14   15   15   16
CONECT   16   30
END

HMDB0258350
     RDKit          3D
sn-glycero-3-phosphoserine
 30 29  0  0  0  0  0  0  0  0999 V2000
    3.8531    1.1584    0.9684 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6269    0.1066    0.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3184    0.2133   -0.7065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3115    0.0949    0.2515 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2837    0.0814   -0.4718 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.0452   -0.7457   -1.7660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5580    1.6938   -1.0361 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2978   -0.4770    0.5527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3850   -0.1048    1.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5132   -0.1123    0.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4507   -1.3822   -0.4855 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8342    0.1387    0.6462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9243    1.4298    1.2315 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7132   -0.4476   -0.6862 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4749   -1.0124   -1.8818 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0252   -0.5116   -0.2603 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1456    1.9167    0.7002 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7682    1.5795    1.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3794   -0.8550    0.7822 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3060    1.1519   -1.2885 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3209   -0.6599   -1.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1824    1.8796   -1.8796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4844    0.7880    1.6788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7002   -0.9735    1.8527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2116    0.6891   -0.6747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7551   -1.2885   -1.4548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6086    0.1281   -0.1303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1258   -0.5712    1.4687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1641    1.9299    0.8788 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2810   -0.5652    0.7447 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  2  0
  5  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
  2 14  1  0
 14 15  2  0
 14 16  1  0
  1 17  1  0
  1 18  1  0
  2 19  1  0
  3 20  1  0
  3 21  1  0
  7 22  1  0
  9 23  1  0
  9 24  1  0
 10 25  1  0
 11 26  1  0
 12 27  1  0
 12 28  1  0
 13 29  1  0
 16 30  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
2-Amino-3-{[(2,3-dihydroxypropoxy)(hydroxy)phosphoryl]oxy}propanoate	Generator

Chemical Formula

C₆H₁₄NO₈P

Average Molecular Weight

259.151

Monoisotopic Molecular Weight

259.045703413

IUPAC Name

2-amino-3-{[(2,3-dihydroxypropoxy)(hydroxy)phosphoryl]oxy}propanoic acid

Traditional Name

L-α-glycerophosphorylserine

CAS Registry Number

Not Available

SMILES

NC(COP(O)(=O)OCC(O)CO)C(O)=O

InChI Identifier

InChI=1S/C6H14NO8P/c7-5(6(10)11)3-15-16(12,13)14-2-4(9)1-8/h4-5,8-9H,1-3,7H2,(H,10,11)(H,12,13)

InChI Key

ZWZWYGMENQVNFU-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as glycerophosphoserines. These are lipids containing a glycerol moiety carrying a phosphoserine at the 3-position.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Glycerophospholipids

Sub Class

Glycerophosphoserines

Direct Parent

Glycerophosphoserines

Alternative Parents

Substituents

Glycerophosphoserine
Alpha-amino acid
Alpha-amino acid or derivatives
Phosphoethanolamine
Dialkyl phosphate
Alkyl phosphate
Phosphoric acid ester
Organic phosphoric acid derivative
1,2-diol
Amino acid or derivatives
Amino acid
Secondary alcohol
Carboxylic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Primary alcohol
Primary aliphatic amine
Primary amine
Hydrocarbon derivative
Carbonyl group
Organic oxide
Amine
Organopnictogen compound
Organic oxygen compound
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-2.8	ALOGPS
logP	-4.3	ChemAxon
logS	-1.1	ALOGPS
pKa (Strongest Acidic)	1.51	ChemAxon
pKa (Strongest Basic)	9.38	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	159.54 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	49.65 m³·mol⁻¹	ChemAxon
Polarizability	21.58 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	123.968	30932474
DeepCCS	[M-H]-	120.133	30932474
DeepCCS	[M-2H]-	157.127	30932474
DeepCCS	[M+Na]+	132.605	30932474
AllCCS	[M+H]+	154.0	32859911
AllCCS	[M+H-H2O]+	150.8	32859911
AllCCS	[M+NH4]+	156.9	32859911
AllCCS	[M+Na]+	157.7	32859911
AllCCS	[M-H]-	150.2	32859911
AllCCS	[M+Na-2H]-	151.0	32859911
AllCCS	[M+HCOO]-	151.9	32859911

Predicted Kovats Retention Indices

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Glycerophosphoserine,2TMS,isomer #10	C[Si](C)(C)NC(COP(=O)(OCC(O)CO)O[Si](C)(C)C)C(=O)O	2316.8	Semi standard non polar	33892256
Glycerophosphoserine,2TMS,isomer #10	C[Si](C)(C)NC(COP(=O)(OCC(O)CO)O[Si](C)(C)C)C(=O)O	2233.4	Standard non polar	33892256
Glycerophosphoserine,2TMS,isomer #10	C[Si](C)(C)NC(COP(=O)(OCC(O)CO)O[Si](C)(C)C)C(=O)O	3303.8	Standard polar	33892256
Glycerophosphoserine,2TMS,isomer #4	C[Si](C)(C)NC(COP(=O)(O)OCC(CO)O[Si](C)(C)C)C(=O)O	2316.0	Semi standard non polar	33892256
Glycerophosphoserine,2TMS,isomer #4	C[Si](C)(C)NC(COP(=O)(O)OCC(CO)O[Si](C)(C)C)C(=O)O	2225.6	Standard non polar	33892256
Glycerophosphoserine,2TMS,isomer #4	C[Si](C)(C)NC(COP(=O)(O)OCC(CO)O[Si](C)(C)C)C(=O)O	3676.4	Standard polar	33892256
Glycerophosphoserine,2TMS,isomer #5	C[Si](C)(C)OCC(O)COP(=O)(O)OCC(N)C(=O)O[Si](C)(C)C	2200.2	Semi standard non polar	33892256
Glycerophosphoserine,2TMS,isomer #5	C[Si](C)(C)OCC(O)COP(=O)(O)OCC(N)C(=O)O[Si](C)(C)C	2152.1	Standard non polar	33892256
Glycerophosphoserine,2TMS,isomer #5	C[Si](C)(C)OCC(O)COP(=O)(O)OCC(N)C(=O)O[Si](C)(C)C	3737.8	Standard polar	33892256
Glycerophosphoserine,2TMS,isomer #6	C[Si](C)(C)OCC(O)COP(=O)(OCC(N)C(=O)O)O[Si](C)(C)C	2228.9	Semi standard non polar	33892256
Glycerophosphoserine,2TMS,isomer #6	C[Si](C)(C)OCC(O)COP(=O)(OCC(N)C(=O)O)O[Si](C)(C)C	2192.3	Standard non polar	33892256
Glycerophosphoserine,2TMS,isomer #6	C[Si](C)(C)OCC(O)COP(=O)(OCC(N)C(=O)O)O[Si](C)(C)C	3584.4	Standard polar	33892256
Glycerophosphoserine,3TMS,isomer #1	C[Si](C)(C)OCC(COP(=O)(O)OCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2207.7	Semi standard non polar	33892256
Glycerophosphoserine,3TMS,isomer #1	C[Si](C)(C)OCC(COP(=O)(O)OCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2208.0	Standard non polar	33892256
Glycerophosphoserine,3TMS,isomer #1	C[Si](C)(C)OCC(COP(=O)(O)OCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	3503.8	Standard polar	33892256
Glycerophosphoserine,3TMS,isomer #5	C[Si](C)(C)NC(COP(=O)(O)OCC(CO)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2245.0	Semi standard non polar	33892256
Glycerophosphoserine,3TMS,isomer #5	C[Si](C)(C)NC(COP(=O)(O)OCC(CO)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2278.9	Standard non polar	33892256
Glycerophosphoserine,3TMS,isomer #5	C[Si](C)(C)NC(COP(=O)(O)OCC(CO)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3252.1	Standard polar	33892256
Glycerophosphoserine,4TMS,isomer #1	C[Si](C)(C)OCC(COP(=O)(OCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2237.2	Semi standard non polar	33892256
Glycerophosphoserine,4TMS,isomer #1	C[Si](C)(C)OCC(COP(=O)(OCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2270.6	Standard non polar	33892256
Glycerophosphoserine,4TMS,isomer #1	C[Si](C)(C)OCC(COP(=O)(OCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	3063.3	Standard polar	33892256
Glycerophosphoserine,4TMS,isomer #10	C[Si](C)(C)OCC(O)COP(=O)(OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2421.9	Semi standard non polar	33892256
Glycerophosphoserine,4TMS,isomer #10	C[Si](C)(C)OCC(O)COP(=O)(OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2398.5	Standard non polar	33892256
Glycerophosphoserine,4TMS,isomer #10	C[Si](C)(C)OCC(O)COP(=O)(OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2802.4	Standard polar	33892256
Glycerophosphoserine,4TMS,isomer #11	C[Si](C)(C)OC(=O)C(COP(=O)(OCC(O)CO)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2410.2	Semi standard non polar	33892256
Glycerophosphoserine,4TMS,isomer #11	C[Si](C)(C)OC(=O)C(COP(=O)(OCC(O)CO)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2401.5	Standard non polar	33892256
Glycerophosphoserine,4TMS,isomer #11	C[Si](C)(C)OC(=O)C(COP(=O)(OCC(O)CO)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2804.3	Standard polar	33892256
Glycerophosphoserine,4TMS,isomer #2	C[Si](C)(C)NC(COP(=O)(O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2253.0	Semi standard non polar	33892256
Glycerophosphoserine,4TMS,isomer #2	C[Si](C)(C)NC(COP(=O)(O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2310.5	Standard non polar	33892256
Glycerophosphoserine,4TMS,isomer #2	C[Si](C)(C)NC(COP(=O)(O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2946.3	Standard polar	33892256
Glycerophosphoserine,4TMS,isomer #3	C[Si](C)(C)NC(COP(=O)(OCC(CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2307.6	Semi standard non polar	33892256
Glycerophosphoserine,4TMS,isomer #3	C[Si](C)(C)NC(COP(=O)(OCC(CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2324.7	Standard non polar	33892256
Glycerophosphoserine,4TMS,isomer #3	C[Si](C)(C)NC(COP(=O)(OCC(CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2780.1	Standard polar	33892256
Glycerophosphoserine,4TMS,isomer #4	C[Si](C)(C)OCC(COP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2441.1	Semi standard non polar	33892256
Glycerophosphoserine,4TMS,isomer #4	C[Si](C)(C)OCC(COP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2401.3	Standard non polar	33892256
Glycerophosphoserine,4TMS,isomer #4	C[Si](C)(C)OCC(COP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	3080.0	Standard polar	33892256
Glycerophosphoserine,4TMS,isomer #5	C[Si](C)(C)NC(COP(=O)(OCC(CO)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2268.6	Semi standard non polar	33892256
Glycerophosphoserine,4TMS,isomer #5	C[Si](C)(C)NC(COP(=O)(OCC(CO)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2345.7	Standard non polar	33892256
Glycerophosphoserine,4TMS,isomer #5	C[Si](C)(C)NC(COP(=O)(OCC(CO)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2704.3	Standard polar	33892256
Glycerophosphoserine,4TMS,isomer #6	C[Si](C)(C)OC(=O)C(COP(=O)(O)OCC(CO)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2417.6	Semi standard non polar	33892256
Glycerophosphoserine,4TMS,isomer #6	C[Si](C)(C)OC(=O)C(COP(=O)(O)OCC(CO)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2398.3	Standard non polar	33892256
Glycerophosphoserine,4TMS,isomer #6	C[Si](C)(C)OC(=O)C(COP(=O)(O)OCC(CO)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3037.2	Standard polar	33892256
Glycerophosphoserine,4TMS,isomer #7	C[Si](C)(C)OC(CO)COP(=O)(OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2427.2	Semi standard non polar	33892256
Glycerophosphoserine,4TMS,isomer #7	C[Si](C)(C)OC(CO)COP(=O)(OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2412.1	Standard non polar	33892256
Glycerophosphoserine,4TMS,isomer #7	C[Si](C)(C)OC(CO)COP(=O)(OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2842.0	Standard polar	33892256
Glycerophosphoserine,4TMS,isomer #8	C[Si](C)(C)NC(COP(=O)(OCC(O)CO[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2276.1	Semi standard non polar	33892256
Glycerophosphoserine,4TMS,isomer #8	C[Si](C)(C)NC(COP(=O)(OCC(O)CO[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2326.0	Standard non polar	33892256
Glycerophosphoserine,4TMS,isomer #8	C[Si](C)(C)NC(COP(=O)(OCC(O)CO[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2666.2	Standard polar	33892256
Glycerophosphoserine,4TMS,isomer #9	C[Si](C)(C)OCC(O)COP(=O)(O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2408.6	Semi standard non polar	33892256
Glycerophosphoserine,4TMS,isomer #9	C[Si](C)(C)OCC(O)COP(=O)(O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2394.2	Standard non polar	33892256
Glycerophosphoserine,4TMS,isomer #9	C[Si](C)(C)OCC(O)COP(=O)(O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2993.9	Standard polar	33892256
Glycerophosphoserine,5TMS,isomer #1	C[Si](C)(C)NC(COP(=O)(OCC(CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2290.7	Semi standard non polar	33892256
Glycerophosphoserine,5TMS,isomer #1	C[Si](C)(C)NC(COP(=O)(OCC(CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2348.3	Standard non polar	33892256
Glycerophosphoserine,5TMS,isomer #1	C[Si](C)(C)NC(COP(=O)(OCC(CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2531.3	Standard polar	33892256
Glycerophosphoserine,5TMS,isomer #2	C[Si](C)(C)OCC(COP(=O)(O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2409.8	Semi standard non polar	33892256
Glycerophosphoserine,5TMS,isomer #2	C[Si](C)(C)OCC(COP(=O)(O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2412.8	Standard non polar	33892256
Glycerophosphoserine,5TMS,isomer #2	C[Si](C)(C)OCC(COP(=O)(O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2802.0	Standard polar	33892256
Glycerophosphoserine,5TMS,isomer #3	C[Si](C)(C)OCC(COP(=O)(OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2408.4	Semi standard non polar	33892256
Glycerophosphoserine,5TMS,isomer #3	C[Si](C)(C)OCC(COP(=O)(OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2419.7	Standard non polar	33892256
Glycerophosphoserine,5TMS,isomer #3	C[Si](C)(C)OCC(COP(=O)(OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2654.2	Standard polar	33892256
Glycerophosphoserine,5TMS,isomer #4	C[Si](C)(C)OC(=O)C(COP(=O)(OCC(CO)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2431.4	Semi standard non polar	33892256
Glycerophosphoserine,5TMS,isomer #4	C[Si](C)(C)OC(=O)C(COP(=O)(OCC(CO)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2426.2	Standard non polar	33892256
Glycerophosphoserine,5TMS,isomer #4	C[Si](C)(C)OC(=O)C(COP(=O)(OCC(CO)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2619.9	Standard polar	33892256
Glycerophosphoserine,5TMS,isomer #5	C[Si](C)(C)OCC(O)COP(=O)(OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2418.5	Semi standard non polar	33892256
Glycerophosphoserine,5TMS,isomer #5	C[Si](C)(C)OCC(O)COP(=O)(OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2411.1	Standard non polar	33892256
Glycerophosphoserine,5TMS,isomer #5	C[Si](C)(C)OCC(O)COP(=O)(OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2589.8	Standard polar	33892256
Glycerophosphoserine,6TMS,isomer #1	C[Si](C)(C)OCC(COP(=O)(OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2420.2	Semi standard non polar	33892256
Glycerophosphoserine,6TMS,isomer #1	C[Si](C)(C)OCC(COP(=O)(OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2436.1	Standard non polar	33892256
Glycerophosphoserine,6TMS,isomer #1	C[Si](C)(C)OCC(COP(=O)(OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2500.4	Standard polar	33892256
Glycerophosphoserine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(COP(=O)(O)OCC(O)CO)C(=O)O	2523.0	Semi standard non polar	33892256
Glycerophosphoserine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(COP(=O)(O)OCC(O)CO)C(=O)O	2337.9	Standard non polar	33892256
Glycerophosphoserine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(COP(=O)(O)OCC(O)CO)C(=O)O	4049.8	Standard polar	33892256
Glycerophosphoserine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(COP(=O)(O)OCC(O)CO)C(=O)O)[Si](C)(C)C(C)(C)C	2848.4	Semi standard non polar	33892256
Glycerophosphoserine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(COP(=O)(O)OCC(O)CO)C(=O)O)[Si](C)(C)C(C)(C)C	2684.9	Standard non polar	33892256
Glycerophosphoserine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(COP(=O)(O)OCC(O)CO)C(=O)O)[Si](C)(C)C(C)(C)C	3635.6	Standard polar	33892256
Glycerophosphoserine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(N)COP(=O)(O)OCC(CO)O[Si](C)(C)C(C)(C)C	2618.8	Semi standard non polar	33892256
Glycerophosphoserine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(N)COP(=O)(O)OCC(CO)O[Si](C)(C)C(C)(C)C	2577.9	Standard non polar	33892256
Glycerophosphoserine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(N)COP(=O)(O)OCC(CO)O[Si](C)(C)C(C)(C)C	3788.7	Standard polar	33892256
Glycerophosphoserine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC(O)COP(=O)(OCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C	2653.3	Semi standard non polar	33892256
Glycerophosphoserine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC(O)COP(=O)(OCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C	2614.4	Standard non polar	33892256
Glycerophosphoserine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC(O)COP(=O)(OCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C	3620.8	Standard polar	33892256
Glycerophosphoserine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(N)COP(=O)(OCC(O)CO)O[Si](C)(C)C(C)(C)C	2636.6	Semi standard non polar	33892256
Glycerophosphoserine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(N)COP(=O)(OCC(O)CO)O[Si](C)(C)C(C)(C)C	2572.1	Standard non polar	33892256
Glycerophosphoserine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(N)COP(=O)(OCC(O)CO)O[Si](C)(C)C(C)(C)C	3513.2	Standard polar	33892256
Glycerophosphoserine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(COP(=O)(O)OCC(O)CO)C(=O)O[Si](C)(C)C(C)(C)C	2666.7	Semi standard non polar	33892256
Glycerophosphoserine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(COP(=O)(O)OCC(O)CO)C(=O)O[Si](C)(C)C(C)(C)C	2620.1	Standard non polar	33892256
Glycerophosphoserine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(COP(=O)(O)OCC(O)CO)C(=O)O[Si](C)(C)C(C)(C)C	3566.0	Standard polar	33892256
Glycerophosphoserine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(COP(=O)(OCC(O)CO)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2881.6	Semi standard non polar	33892256
Glycerophosphoserine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(COP(=O)(OCC(O)CO)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2808.2	Standard non polar	33892256
Glycerophosphoserine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(COP(=O)(OCC(O)CO)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3122.6	Standard polar	33892256
Glycerophosphoserine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(COP(=O)(OCC(CO)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	2899.5	Semi standard non polar	33892256
Glycerophosphoserine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(COP(=O)(OCC(CO)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	2801.9	Standard non polar	33892256
Glycerophosphoserine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(COP(=O)(OCC(CO)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3186.2	Standard polar	33892256
Glycerophosphoserine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(COP(=O)(OCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3052.1	Semi standard non polar	33892256
Glycerophosphoserine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(COP(=O)(OCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2948.8	Standard non polar	33892256
Glycerophosphoserine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(COP(=O)(OCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3238.2	Standard polar	33892256
Glycerophosphoserine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC(O)COP(=O)(OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3244.9	Semi standard non polar	33892256
Glycerophosphoserine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC(O)COP(=O)(OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3020.2	Standard non polar	33892256
Glycerophosphoserine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC(O)COP(=O)(OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3068.9	Standard polar	33892256
Glycerophosphoserine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)C(COP(=O)(OCC(O)CO)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3226.4	Semi standard non polar	33892256
Glycerophosphoserine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)C(COP(=O)(OCC(O)CO)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3028.8	Standard non polar	33892256
Glycerophosphoserine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)C(COP(=O)(OCC(O)CO)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3057.9	Standard polar	33892256
Glycerophosphoserine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(COP(=O)(O)OCC(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3067.3	Semi standard non polar	33892256
Glycerophosphoserine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(COP(=O)(O)OCC(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3026.0	Standard non polar	33892256
Glycerophosphoserine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(COP(=O)(O)OCC(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3196.9	Standard polar	33892256
Glycerophosphoserine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(COP(=O)(OCC(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3111.6	Semi standard non polar	33892256
Glycerophosphoserine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(COP(=O)(OCC(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	2971.9	Standard non polar	33892256
Glycerophosphoserine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(COP(=O)(OCC(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3072.1	Standard polar	33892256
Glycerophosphoserine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC(COP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3274.1	Semi standard non polar	33892256
Glycerophosphoserine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC(COP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3082.1	Standard non polar	33892256
Glycerophosphoserine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC(COP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3250.3	Standard polar	33892256
Glycerophosphoserine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(COP(=O)(OCC(CO)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3089.9	Semi standard non polar	33892256
Glycerophosphoserine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(COP(=O)(OCC(CO)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2978.4	Standard non polar	33892256
Glycerophosphoserine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(COP(=O)(OCC(CO)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3019.1	Standard polar	33892256
Glycerophosphoserine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C(COP(=O)(O)OCC(CO)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3241.3	Semi standard non polar	33892256
Glycerophosphoserine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C(COP(=O)(O)OCC(CO)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3079.4	Standard non polar	33892256
Glycerophosphoserine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C(COP(=O)(O)OCC(CO)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3217.4	Standard polar	33892256
Glycerophosphoserine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(CO)COP(=O)(OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3252.9	Semi standard non polar	33892256
Glycerophosphoserine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(CO)COP(=O)(OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3022.6	Standard non polar	33892256
Glycerophosphoserine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(CO)COP(=O)(OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3084.7	Standard polar	33892256
Glycerophosphoserine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(COP(=O)(OCC(O)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3094.6	Semi standard non polar	33892256
Glycerophosphoserine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(COP(=O)(OCC(O)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2974.6	Standard non polar	33892256
Glycerophosphoserine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(COP(=O)(OCC(O)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3004.2	Standard polar	33892256
Glycerophosphoserine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC(O)COP(=O)(O)OCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3227.6	Semi standard non polar	33892256
Glycerophosphoserine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC(O)COP(=O)(O)OCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3085.2	Standard non polar	33892256
Glycerophosphoserine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC(O)COP(=O)(O)OCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3200.8	Standard polar	33892256
Glycerophosphoserine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(COP(=O)(OCC(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3303.2	Semi standard non polar	33892256
Glycerophosphoserine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(COP(=O)(OCC(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3124.0	Standard non polar	33892256
Glycerophosphoserine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(COP(=O)(OCC(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2983.0	Standard polar	33892256
Glycerophosphoserine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(COP(=O)(O)OCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3462.0	Semi standard non polar	33892256
Glycerophosphoserine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(COP(=O)(O)OCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3246.5	Standard non polar	33892256
Glycerophosphoserine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(COP(=O)(O)OCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3133.8	Standard polar	33892256
Glycerophosphoserine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(COP(=O)(OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3478.1	Semi standard non polar	33892256
Glycerophosphoserine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(COP(=O)(OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3185.6	Standard non polar	33892256
Glycerophosphoserine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(COP(=O)(OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3026.7	Standard polar	33892256
Glycerophosphoserine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(COP(=O)(OCC(CO)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3446.3	Semi standard non polar	33892256
Glycerophosphoserine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(COP(=O)(OCC(CO)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3199.4	Standard non polar	33892256
Glycerophosphoserine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(COP(=O)(OCC(CO)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3005.2	Standard polar	33892256
Glycerophosphoserine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC(O)COP(=O)(OCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3446.3	Semi standard non polar	33892256
Glycerophosphoserine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC(O)COP(=O)(OCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3189.9	Standard non polar	33892256
Glycerophosphoserine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC(O)COP(=O)(OCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2996.9	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoserine GC-MS (Non-derivatized) - 70eV, Positive	splash10-01ox-7920000000-842af39431980616aed7	2021-09-23	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoserine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoserine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoserine GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoserine GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoserine GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoserine GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoserine GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoserine GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoserine GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoserine GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoserine GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoserine GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoserine GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoserine GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoserine GC-MS (TMS_3_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoserine GC-MS (TMS_3_3) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoserine GC-MS (TMS_3_4) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoserine GC-MS (TMS_3_6) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoserine GC-MS (TMS_3_7) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoserine GC-MS (TMS_3_8) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoserine GC-MS (TMS_3_9) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoserine GC-MS (TMS_3_10) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoserine GC-MS (TMS_3_11) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycerophosphoserine GC-MS (TMS_3_12) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycerophosphoserine 10V, Positive-QTOF	splash10-06ri-2940000000-55d2b0217ca44f3318d1	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycerophosphoserine 20V, Positive-QTOF	splash10-0002-9100000000-779b42c4420b8b712321	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycerophosphoserine 40V, Positive-QTOF	splash10-0002-9400000000-321444801eb597d4d734	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycerophosphoserine 10V, Negative-QTOF	splash10-00b9-9510000000-358e7a04ed9740f76085	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycerophosphoserine 20V, Negative-QTOF	splash10-004i-9510000000-14f531e25cc0a5b04c84	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycerophosphoserine 40V, Negative-QTOF	splash10-004i-9200000000-f9ce201a519091b6b50c	2021-10-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood
Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Urine	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Cancer patients undergoing total body irradiation	31424920	details

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

399511

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

453627

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Enzymes

Enzyme Details

1. Glycerophosphoinositol inositolphosphodiesterase GDPD2

General function:: Involved in glycerophosphodiester phosphodiesterase activity
Specific function:: Has glycerophosphoinositol inositolphosphodiesterase activity and specifically hydrolyzes glycerophosphoinositol, with no activity for other substrates such as glycerophosphoinositol 4-phosphate, glycerophosphocholine, glycerophosphoethanolamine, and glycerophosphoserine. Accelerates the program of osteoblast differentiation and growth. May play a role in remodeling of the actin cytoskeleton (By similarity).
Gene Name:: GDPD2
Uniprot ID:: Q9HCC8
Molecular weight:: 52185.905

Showing metabocard for Glycerophosphoserine (HMDB0252850)

MOL for HMDB0252850 (Glycerophosphoserine)

3D MOL for HMDB0252850 (Glycerophosphoserine)

3D SDF for HMDB0252850 (Glycerophosphoserine)

3D-SDF for HMDB0252850 (Glycerophosphoserine)

PDB for HMDB0252850 (Glycerophosphoserine)

3D PDB for HMDB0252850 (Glycerophosphoserine)

SMILES for HMDB0252850 (Glycerophosphoserine)

INCHI for HMDB0252850 (Glycerophosphoserine)

Structure for HMDB0252850 (Glycerophosphoserine)

3D Structure for HMDB0252850 (Glycerophosphoserine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes