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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (8) Show 8 proteins XML

Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2023-02-21 17:14:39 UTC

HMDB ID

HMDB0000247

Secondary Accession Numbers

HMDB00247

Metabolite Identification

Common Name

Sorbitol

Description

Sorbitol is a polyhydric alcohol with about half the sweetness of sucrose. Sorbitol occurs naturally and is also produced synthetically from glucose. It was formerly used as a diuretic and may still be used as a laxative and in irrigating solutions for some surgical procedures. It is also used in many manufacturing processes, as a pharmaceutical aid, and in several research applications. Ascorbic acid fermentation; in solution form for moisture-conditioning of cosmetic creams and lotions, toothpaste, tobacco, gelatin; bodying agent for paper, textiles, and liquid pharmaceuticals; softener for candy; sugar crystallization inhibitor; surfactants; urethane resins and rigid foams; plasticizer, stabilizer for vinyl resins; food additive (sweetener, humectant, emulsifier, thickener, anticaking agent); dietary supplement. (Hawley's Condensed Chemical Dictionary) Biological Source: Occurs widely in plants ranging from algae to the higher orders. Fruits of the plant family Rosaceae, which include apples, pears, cherries, apricots, contain appreciable amounts. Rich sources are the fruits of the Sorbus and Crataegus species Use/Importance: Used for manufacturing of sorbose, propylene glycol, ascorbic acid, resins, plasticizers and as antifreeze mixtures with glycerol or glycol. Tablet diluent, sweetening agent and humectant, other food uses. Sorbitol is used in photometric determination of Ru(VI) and Ru(VIII); in acid-base titration of borate (Dictionary of Organic Compounds).

Structure

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

HEADER    PROTEIN                                 03-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-20         0                                  
HETATM    1  O   UNK     0       1.953   2.667   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       3.286   3.437   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.620   2.667   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       4.620   1.127   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       5.954   3.437   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       5.954   4.977   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       7.287   2.667   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       7.287   1.127   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       8.621   3.437   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       8.621   4.977   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       9.955   2.667   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      11.288   3.437   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   22    0
END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
(-)-Sorbitol	ChEBI
(2R,3R,4R,5S)-Hexane-1,2,3,4,5,6-hexol	ChEBI
D-(-)-Sorbitol	ChEBI
D-Sorbit	ChEBI
D-SORBITOL	ChEBI
e 420	ChEBI
e-420	ChEBI
e420	ChEBI
g-Ol	ChEBI
GLC-Ol	ChEBI
L-Gulitol	ChEBI
D-Glucitol	Kegg
Sorbitol 3% in plastic container	Kegg
D-Sorbol	HMDB
Diakarmon	HMDB
Esasorb	HMDB
Foodol D 70	HMDB
Glucarine	HMDB
Glucitol	HMDB
Karion	HMDB
Karion instant	HMDB
Kyowa powder 50m	HMDB
Multitol	HMDB
Neosorb	HMDB
Neosorb 20/60dC	HMDB
Neosorb 70/02	HMDB
Neosorb 70/70	HMDB
Neosorb p 20/60	HMDB
Neosorb p 60	HMDB
Neosorb p 60W	HMDB
Nivitin	HMDB
Resulax	HMDB
Sionit	HMDB
Sionit K	HMDB
Sionite	HMDB
Sionon	HMDB
Siosan	HMDB
Sorbex m	HMDB
Sorbex R	HMDB
Sorbex RP	HMDB
Sorbex S	HMDB
Sorbex X	HMDB
Sorbilande	HMDB
Sorbilax	HMDB
Sorbit	HMDB
Sorbit D 70	HMDB
Sorbit D-powder	HMDB
Sorbit DP	HMDB
Sorbit DP 50	HMDB
Sorbit kyowa powder 50m	HMDB
Sorbit L 70	HMDB
Sorbit S	HMDB
Sorbit T 70	HMDB
Sorbit W 70	HMDB
Sorbit W-powder	HMDB
Sorbit W-powder 50	HMDB
Sorbit WP	HMDB
Sorbite	HMDB
Sorbitol F	HMDB
Sorbitol FK	HMDB
Sorbitol FP	HMDB
Sorbitol S	HMDB
Sorbitol syrup C	HMDB
Sorbitur	HMDB
Sorbo	HMDB
Sorbogem 712	HMDB
Sorbol	HMDB
Sorbostyl	HMDB
Medefield brand OF sorbitol	HMDB
Sorbitol pfizer brand	HMDB
Yal	HMDB
Klysma sorbit	HMDB
Medevac	HMDB
Trommsdorff brand OF sorbitol	HMDB
Baxter brand OF sorbitol	HMDB
Pfizer brand OF sorbitol	HMDB

Chemical Formula

C₆H₁₄O₆

Average Molecular Weight

182.1718

Monoisotopic Molecular Weight

182.07903818

IUPAC Name

(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol

Traditional Name

D-sorbitol

CAS Registry Number

50-70-4

SMILES

OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

InChI Identifier

InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1

InChI Key

FBPFZTCFMRRESA-JGWLITMVSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sugar alcohols. These are hydrogenated forms of carbohydrate in which the carbonyl group (aldehyde or ketone, reducing sugar) has been reduced to a primary or secondary hydroxyl group.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Sugar alcohols

Alternative Parents

Substituents

Sugar alcohol
Monosaccharide
Secondary alcohol
Polyol
Hydrocarbon derivative
Primary alcohol
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

glucitol (CHEBI:17924 )

Ontology

Not Available

Physical Properties

State

Liquid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	11 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	2750 mg/mL	Not Available
LogP	-2.20	SANGSTER (1994)

Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M-H]-	Not Available	131.4	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000375

Predicted Molecular Properties

Property	Value	Source
Water Solubility	229 g/L	ALOGPS
logP	-2.7	ALOGPS
logP	-3.7	ChemAxon
logS	0.1	ALOGPS
pKa (Strongest Acidic)	12.59	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	121.38 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	38.4 m³·mol⁻¹	ChemAxon
Polarizability	17.12 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	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
DarkChem	[M+H]+	141.106	31661259
DarkChem	[M-H]-	134.105	31661259
AllCCS	[M+H]+	141.597	32859911
AllCCS	[M-H]-	132.925	32859911
DeepCCS	[M+H]+	146.768	30932474
DeepCCS	[M-H]-	144.372	30932474
DeepCCS	[M-2H]-	177.562	30932474
DeepCCS	[M+Na]+	152.68	30932474
AllCCS	[M+H]+	141.6	32859911
AllCCS	[M+H-H2O]+	137.8	32859911
AllCCS	[M+NH4]+	145.1	32859911
AllCCS	[M+Na]+	146.1	32859911
AllCCS	[M-H]-	132.9	32859911
AllCCS	[M+Na-2H]-	134.4	32859911
AllCCS	[M+HCOO]-	136.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Sorbitol	OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	3157.9	Standard polar	33892256
Sorbitol	OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	2029.1	Standard non polar	33892256
Sorbitol	OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	1780.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Sorbitol,1TMS,isomer #1	C[Si](C)(C)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	1776.6	Semi standard non polar	33892256
Sorbitol,1TMS,isomer #2	C[Si](C)(C)O[C@@H](CO)[C@@H](O)[C@H](O)[C@H](O)CO	1732.3	Semi standard non polar	33892256
Sorbitol,1TMS,isomer #3	C[Si](C)(C)O[C@H]([C@@H](O)CO)[C@H](O)[C@H](O)CO	1715.4	Semi standard non polar	33892256
Sorbitol,1TMS,isomer #4	C[Si](C)(C)O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)CO	1715.4	Semi standard non polar	33892256
Sorbitol,1TMS,isomer #5	C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)CO	1732.3	Semi standard non polar	33892256
Sorbitol,1TMS,isomer #6	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO	1776.6	Semi standard non polar	33892256
Sorbitol,2TMS,isomer #1	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H](O)CO	1810.5	Semi standard non polar	33892256
Sorbitol,2TMS,isomer #10	C[Si](C)(C)O[C@H]([C@@H](O)CO)[C@H](O[Si](C)(C)C)[C@H](O)CO	1751.7	Semi standard non polar	33892256
Sorbitol,2TMS,isomer #11	C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)CO	1778.2	Semi standard non polar	33892256
Sorbitol,2TMS,isomer #12	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)CO	1794.2	Semi standard non polar	33892256
Sorbitol,2TMS,isomer #13	C[Si](C)(C)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@H](O)[C@@H](O)CO	1776.7	Semi standard non polar	33892256
Sorbitol,2TMS,isomer #14	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)CO	1791.6	Semi standard non polar	33892256
Sorbitol,2TMS,isomer #15	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)CO	1810.5	Semi standard non polar	33892256
Sorbitol,2TMS,isomer #2	C[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO	1791.6	Semi standard non polar	33892256
Sorbitol,2TMS,isomer #3	C[Si](C)(C)OC[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO	1794.2	Semi standard non polar	33892256
Sorbitol,2TMS,isomer #4	C[Si](C)(C)OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C	1824.6	Semi standard non polar	33892256
Sorbitol,2TMS,isomer #5	C[Si](C)(C)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[Si](C)(C)C	1833.2	Semi standard non polar	33892256
Sorbitol,2TMS,isomer #6	C[Si](C)(C)O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO	1776.7	Semi standard non polar	33892256
Sorbitol,2TMS,isomer #7	C[Si](C)(C)O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO	1778.2	Semi standard non polar	33892256
Sorbitol,2TMS,isomer #8	C[Si](C)(C)O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C	1801.6	Semi standard non polar	33892256
Sorbitol,2TMS,isomer #9	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](CO)O[Si](C)(C)C	1824.6	Semi standard non polar	33892256
Sorbitol,3TMS,isomer #1	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO	1833.7	Semi standard non polar	33892256
Sorbitol,3TMS,isomer #10	C[Si](C)(C)OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	1875.8	Semi standard non polar	33892256
Sorbitol,3TMS,isomer #11	C[Si](C)(C)O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO	1833.0	Semi standard non polar	33892256
Sorbitol,3TMS,isomer #12	C[Si](C)(C)O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C	1834.9	Semi standard non polar	33892256
Sorbitol,3TMS,isomer #13	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](CO)O[Si](C)(C)C	1855.8	Semi standard non polar	33892256
Sorbitol,3TMS,isomer #14	C[Si](C)(C)O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	1834.9	Semi standard non polar	33892256
Sorbitol,3TMS,isomer #15	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](CO)O[Si](C)(C)C	1844.6	Semi standard non polar	33892256
Sorbitol,3TMS,isomer #16	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H](CO)O[Si](C)(C)C	1863.9	Semi standard non polar	33892256
Sorbitol,3TMS,isomer #17	C[Si](C)(C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)CO	1833.0	Semi standard non polar	33892256
Sorbitol,3TMS,isomer #18	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)CO	1836.3	Semi standard non polar	33892256
Sorbitol,3TMS,isomer #19	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)CO	1852.4	Semi standard non polar	33892256
Sorbitol,3TMS,isomer #2	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO	1852.4	Semi standard non polar	33892256
Sorbitol,3TMS,isomer #20	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)CO	1833.7	Semi standard non polar	33892256
Sorbitol,3TMS,isomer #3	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C	1863.9	Semi standard non polar	33892256
Sorbitol,3TMS,isomer #4	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H](O)CO[Si](C)(C)C	1875.8	Semi standard non polar	33892256
Sorbitol,3TMS,isomer #5	C[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO	1836.3	Semi standard non polar	33892256
Sorbitol,3TMS,isomer #6	C[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C	1844.6	Semi standard non polar	33892256
Sorbitol,3TMS,isomer #7	C[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO[Si](C)(C)C	1859.1	Semi standard non polar	33892256
Sorbitol,3TMS,isomer #8	C[Si](C)(C)OC[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	1855.8	Semi standard non polar	33892256
Sorbitol,3TMS,isomer #9	C[Si](C)(C)OC[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	1859.1	Semi standard non polar	33892256
Sorbitol,4TMS,isomer #1	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO	1880.0	Semi standard non polar	33892256
Sorbitol,4TMS,isomer #10	C[Si](C)(C)OC[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	1894.2	Semi standard non polar	33892256
Sorbitol,4TMS,isomer #11	C[Si](C)(C)O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	1852.9	Semi standard non polar	33892256
Sorbitol,4TMS,isomer #12	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](CO)O[Si](C)(C)C	1865.0	Semi standard non polar	33892256
Sorbitol,4TMS,isomer #13	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](CO)O[Si](C)(C)C	1875.4	Semi standard non polar	33892256
Sorbitol,4TMS,isomer #14	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](CO)O[Si](C)(C)C	1872.6	Semi standard non polar	33892256
Sorbitol,4TMS,isomer #15	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)CO	1880.0	Semi standard non polar	33892256
Sorbitol,4TMS,isomer #2	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C	1872.6	Semi standard non polar	33892256
Sorbitol,4TMS,isomer #3	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO[Si](C)(C)C	1894.2	Semi standard non polar	33892256
Sorbitol,4TMS,isomer #4	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	1875.4	Semi standard non polar	33892256
Sorbitol,4TMS,isomer #5	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	1890.0	Semi standard non polar	33892256
Sorbitol,4TMS,isomer #6	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	1903.4	Semi standard non polar	33892256
Sorbitol,4TMS,isomer #7	C[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	1865.0	Semi standard non polar	33892256
Sorbitol,4TMS,isomer #8	C[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	1880.4	Semi standard non polar	33892256
Sorbitol,4TMS,isomer #9	C[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	1890.0	Semi standard non polar	33892256
Sorbitol,5TMS,isomer #1	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	1905.0	Semi standard non polar	33892256
Sorbitol,5TMS,isomer #2	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	1877.2	Semi standard non polar	33892256
Sorbitol,5TMS,isomer #3	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	1895.0	Semi standard non polar	33892256
Sorbitol,5TMS,isomer #4	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	1895.0	Semi standard non polar	33892256
Sorbitol,5TMS,isomer #5	C[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	1877.2	Semi standard non polar	33892256
Sorbitol,5TMS,isomer #6	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](CO)O[Si](C)(C)C	1905.0	Semi standard non polar	33892256
Sorbitol,6TMS,isomer #1	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	1979.4	Semi standard non polar	33892256
Sorbitol,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	2030.5	Semi standard non polar	33892256
Sorbitol,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H](CO)[C@@H](O)[C@H](O)[C@H](O)CO	1981.0	Semi standard non polar	33892256
Sorbitol,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]([C@@H](O)CO)[C@H](O)[C@H](O)CO	1960.1	Semi standard non polar	33892256
Sorbitol,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)CO	1960.1	Semi standard non polar	33892256
Sorbitol,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)CO	1981.0	Semi standard non polar	33892256
Sorbitol,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO	2030.5	Semi standard non polar	33892256
Sorbitol,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H](O)CO	2252.8	Semi standard non polar	33892256
Sorbitol,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]([C@@H](O)CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	2225.9	Semi standard non polar	33892256
Sorbitol,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO	2240.9	Semi standard non polar	33892256
Sorbitol,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO	2249.2	Semi standard non polar	33892256
Sorbitol,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@H]([C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)CO	2239.9	Semi standard non polar	33892256
Sorbitol,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)CO	2239.5	Semi standard non polar	33892256
Sorbitol,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)CO	2252.8	Semi standard non polar	33892256
Sorbitol,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO	2239.5	Semi standard non polar	33892256
Sorbitol,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	2249.2	Semi standard non polar	33892256
Sorbitol,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	2274.2	Semi standard non polar	33892256
Sorbitol,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C	2274.6	Semi standard non polar	33892256
Sorbitol,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO	2239.9	Semi standard non polar	33892256
Sorbitol,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	2240.9	Semi standard non polar	33892256
Sorbitol,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	2257.3	Semi standard non polar	33892256
Sorbitol,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](CO)O[Si](C)(C)C(C)(C)C	2274.2	Semi standard non polar	33892256
Sorbitol,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO	2488.3	Semi standard non polar	33892256
Sorbitol,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2524.3	Semi standard non polar	33892256
Sorbitol,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	2514.6	Semi standard non polar	33892256
Sorbitol,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	2535.7	Semi standard non polar	33892256
Sorbitol,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)O[Si](C)(C)C(C)(C)C	2541.7	Semi standard non polar	33892256
Sorbitol,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	2535.7	Semi standard non polar	33892256
Sorbitol,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](CO)O[Si](C)(C)C(C)(C)C	2550.6	Semi standard non polar	33892256
Sorbitol,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H](CO)O[Si](C)(C)C(C)(C)C	2537.9	Semi standard non polar	33892256
Sorbitol,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO	2514.6	Semi standard non polar	33892256
Sorbitol,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO	2510.6	Semi standard non polar	33892256
Sorbitol,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO	2515.2	Semi standard non polar	33892256
Sorbitol,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	2515.2	Semi standard non polar	33892256
Sorbitol,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)CO	2488.3	Semi standard non polar	33892256
Sorbitol,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	2537.9	Semi standard non polar	33892256
Sorbitol,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C	2524.3	Semi standard non polar	33892256
Sorbitol,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	2510.6	Semi standard non polar	33892256
Sorbitol,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	2550.6	Semi standard non polar	33892256
Sorbitol,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C	2534.5	Semi standard non polar	33892256
Sorbitol,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	2541.7	Semi standard non polar	33892256
Sorbitol,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C	2534.5	Semi standard non polar	33892256
Sorbitol,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	2735.0	Semi standard non polar	33892256
Sorbitol,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2754.9	Semi standard non polar	33892256
Sorbitol,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	2743.5	Semi standard non polar	33892256
Sorbitol,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)O[Si](C)(C)C(C)(C)C	2755.4	Semi standard non polar	33892256
Sorbitol,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)O[Si](C)(C)C(C)(C)C	2759.0	Semi standard non polar	33892256
Sorbitol,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](CO)O[Si](C)(C)C(C)(C)C	2760.7	Semi standard non polar	33892256
Sorbitol,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO	2735.0	Semi standard non polar	33892256
Sorbitol,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	2760.7	Semi standard non polar	33892256
Sorbitol,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C	2754.9	Semi standard non polar	33892256
Sorbitol,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	2759.0	Semi standard non polar	33892256
Sorbitol,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C	2767.4	Semi standard non polar	33892256
Sorbitol,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2767.7	Semi standard non polar	33892256
Sorbitol,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	2755.4	Semi standard non polar	33892256
Sorbitol,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C	2756.0	Semi standard non polar	33892256
Sorbitol,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2767.4	Semi standard non polar	33892256
Sorbitol,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	2965.2	Semi standard non polar	33892256
Sorbitol,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C	2966.5	Semi standard non polar	33892256
Sorbitol,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2957.9	Semi standard non polar	33892256
Sorbitol,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2957.9	Semi standard non polar	33892256
Sorbitol,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2966.5	Semi standard non polar	33892256
Sorbitol,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)O[Si](C)(C)C(C)(C)C	2965.2	Semi standard non polar	33892256
Sorbitol,6TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3191.2	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - Sorbitol GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)	splash10-0ldj-0941000000-19d96a9ba7ba0c482c83	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Sorbitol GC-MS (6 TMS)	splash10-014i-1973000000-d907b75f68a7927501a7	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Sorbitol GC-EI-TOF (Non-derivatized)	splash10-0ldj-0941000000-19d96a9ba7ba0c482c83	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Sorbitol GC-MS (Non-derivatized)	splash10-014i-1973000000-d907b75f68a7927501a7	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Sorbitol GC-EI-TOF (Non-derivatized)	splash10-0ktb-0931000000-4ffadb4b25e8e2510d93	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sorbitol GC-MS (Non-derivatized) - 70eV, Positive	splash10-03k9-9500000000-97c5853d3e9b96f9d054	2016-09-22	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sorbitol GC-MS (6 TMS) - 70eV, Positive	splash10-0a6s-7141193000-dcd9245e12314ee0ced4	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sorbitol GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sorbitol GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sorbitol GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sorbitol GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sorbitol GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sorbitol GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sorbitol GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sorbitol GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sorbitol GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sorbitol GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sorbitol GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sorbitol GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sorbitol GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sorbitol GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sorbitol GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sorbitol GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sorbitol GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sorbitol GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Sorbitol Quattro_QQQ 10V, Positive-QTOF (Annotated)	splash10-017j-8900000000-700285f86eac0a3501d1	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Sorbitol Quattro_QQQ 25V, Positive-QTOF (Annotated)	splash10-066r-9000000000-84676b839b145250d67d	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Sorbitol Quattro_QQQ 40V, Positive-QTOF (Annotated)	splash10-052f-9000000000-dce72cab270c488d65da	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Sorbitol Linear Ion Trap , negative-QTOF	splash10-0ik9-2900000000-26a16e983791be7818f2	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Sorbitol Linear Ion Trap , negative-QTOF	splash10-0ik9-2900000000-6513771e890cbff9c402	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Sorbitol LC-ESI-ITFT , positive-QTOF	splash10-014j-0900000000-58e6917626e28d1830a2	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Sorbitol Linear Ion Trap , positive-QTOF	splash10-001i-0900000000-83169b2192f847cc0636	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Sorbitol Linear Ion Trap , positive-QTOF	splash10-03di-0900000000-4cd721d87e359527adf3	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Sorbitol Linear Ion Trap , positive-QTOF	splash10-03di-0900000000-b44f68c64bc74e79e9fc	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Sorbitol Linear Ion Trap , positive-QTOF	splash10-001i-0900000000-bbb5e957a9e67ddc411e	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Sorbitol Linear Ion Trap , positive-QTOF	splash10-000i-0900000000-772c3052966c05f29842	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Sorbitol Linear Ion Trap , positive-QTOF	splash10-000i-0900000000-d1fbea514e7f1c1628f2	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Sorbitol Linear Ion Trap , positive-QTOF	splash10-0udi-0790000000-b5b098cd5b4b4ec10821	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Sorbitol Linear Ion Trap , positive-QTOF	splash10-0udi-0690000000-41d4e48d49836c63485c	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Sorbitol 35V, Negative-QTOF	splash10-0002-9200000000-9b9f891e480758a7d333	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Sorbitol 20V, Positive-QTOF	splash10-014j-0900000000-6ed9009701977f0a1c00	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Sorbitol 20V, Positive-QTOF	splash10-00kb-1900000000-7cc0793661b053aaf61e	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Sorbitol 10V, Positive-QTOF	splash10-001i-2900000000-ef92b9091ecf5d15cdee	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Sorbitol 20V, Positive-QTOF	splash10-03di-9300000000-47f19bd4e51bff726536	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Sorbitol 40V, Positive-QTOF	splash10-03dl-9100000000-60d5147d8e349337fe97	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Sorbitol 10V, Negative-QTOF	splash10-07ju-8900000000-36f0fe0f346a6424162a	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Sorbitol 20V, Negative-QTOF	splash10-0c0c-9200000000-36e85b5ec098a45204c3	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Sorbitol 40V, Negative-QTOF	splash10-0btc-9000000000-77703ee971336704163f	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Sorbitol 10V, Positive-QTOF	splash10-0002-3900000000-6801fbed6b67e0df2d20	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Sorbitol 20V, Positive-QTOF	splash10-03dl-9000000000-4454dcd4b817c183328b	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Experimental 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, experimental)	2021-10-10	Wishart Lab	View Spectrum
Experimental 2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)	2012-12-05	Wishart Lab	View Spectrum

IR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)	2023-02-03	FELIX lab	View Spectrum

Biological Properties

Cellular Locations

Extracellular
Membrane

Biospecimen Locations

Blood
Cerebrospinal Fluid (CSF)
Feces
Saliva
Urine

Tissue Locations

Adipose Tissue
Adrenal Medulla
Bladder
Erythrocyte
Eye Lens
Fibroblasts
Kidney
Liver
Neuron
Placenta
Platelet
Prostate
Retina

Pathways

Name	SMPDB/PathBank	KEGG
Fructose and mannose metabolism	Not Available
Galactose Metabolism
Fructosuria		Not Available
Fructose intolerance, hereditary		Not Available
Galactosemia		Not Available

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	1.09 +/- 0.37 uM	Adult (>18 years old)	Both	Normal	7710082	details
Blood	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	32966057	details
Blood	Detected and Quantified	<2.198 uM	Adult (>18 years old)	Both	Normal	12675874	details
Blood	Detected and Quantified	13.0 (4.0-24.0) uM	Adult (>18 years old)	Both	Normal	Geigy Scientific ...	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	13.0 (9.49-16.5) uM	Adult (>18 years old)	Both	Normal	7710082	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	19.43 +/- 5.65 uM	Adult (>18 years old)	Not Specified	Normal	8595727	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	19.4 +/- 5.6 uM	Adult (>18 years old)	Both	Normal	8595727	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	15.6 +/- 1.9 uM	Adult (>18 years old)	Both	Normal	10840171	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	17.2 +/- 4.6 uM	Adult (>18 years old)	Both	Normal	Geigy Scientific ...	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	29808030	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	27543620	details
Feces	Detected but not Quantified	Not Quantified	Infant (0-1 year old)	Both	Normal	22411374	details
Feces	Detected but not Quantified	Not Quantified	Children (6 - 18 years old)	Not Specified	Normal	27609529	details
Feces	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	20669995	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	25037050	details
Saliva	Detected and Quantified	196.17 +/- 346.21 uM	Adult (>18 years old)	Both	Normal	Zerihun T. Dame, ...	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Not Specified	Normal	12097436	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Male	Normal	22308371	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Male	Normal	22308371	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Male	Normal	22308371	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Male	Normal	22308371	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Male	Normal	22308371	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Male	Normal	22308371	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Male	Normal	22308371	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Male	Normal	22308371	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Male	Normal	22308371	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Male	Normal	22308371	details
Saliva	Detected and Quantified	<1.00 uM	Adult (>18 years old)	Both	Normal	15707277	details
Urine	Detected and Quantified	3.9 (1.9-5.1) umol/mmol creatinine	Adult (>18 years old)	Both	Normal	24023812	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	32966057	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	28157703	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	24023812	details
Urine	Detected and Quantified	9.9 (2.5-18.7) umol/mmol creatinine	Adult (>18 years old)	Both	Normal	24023812	details
Urine	Detected and Quantified	3.5 +/- 2.24 umol/mmol creatinine	Adult (>18 years old)	Both	Normal	Geigy Scientific ...	details
Urine	Detected and Quantified	46.064 +/- 38.805 umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	Analysis of 30 no...	details
Urine	Detected and Quantified	9.74 +/- 10.36 umol/mmol creatinine	Infant (0-1 year old)	Both	Normal	2026685	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	17.0330 +/- 11.538 uM	Adult (>18 years old)	Both	Uremia	12675874	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	23.3 +/- 3.3 uM	Adult (>18 years old)	Both	Alzheimer's disease	8595727	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	22.89 +/- 3.34 uM	Not Specified	Not Specified	Alzheimer's disease	8595727	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Colorectal cancer	25037050	details
Feces	Detected but not Quantified	Not Quantified	Children (6 - 18 years old)	Not Specified	Crohns disease	27609529	details
Feces	Detected but not Quantified	Not Quantified	Children (6 - 18 years old)	Not Specified	Ulcerative colitis	27609529	details
Feces	Detected but not Quantified	Not Quantified	Children (6 - 18 years old)	Not Specified	Unclassified IBD	27609529	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Bladder cancer	28157703	details
Urine	Detected and Quantified	52.238 umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Eosinophilic esophagitis	Analysis of 30 no...	details

Associated Disorders and Diseases

Disease References

Uremia
Vanholder R, De Smet R, Glorieux G, Argiles A, Baurmeister U, Brunet P, Clark W, Cohen G, De Deyn PP, Deppisch R, Descamps-Latscha B, Henle T, Jorres A, Lemke HD, Massy ZA, Passlick-Deetjen J, Rodriguez M, Stegmayr B, Stenvinkel P, Tetta C, Wanner C, Zidek W: Review on uremic toxins: classification, concentration, and interindividual variability. Kidney Int. 2003 May;63(5):1934-43. doi: 10.1046/j.1523-1755.2003.00924.x. [PubMed:12675874 ]
Alzheimer's disease
Shetty HU, Holloway HW, Schapiro MB: Cerebrospinal fluid and plasma distribution of myo-inositol and other polyols in Alzheimer disease. Clin Chem. 1996 Feb;42(2):298-302. [PubMed:8595727 ]
Crohn's disease
Kolho KL, Pessia A, Jaakkola T, de Vos WM, Velagapudi V: Faecal and Serum Metabolomics in Paediatric Inflammatory Bowel Disease. J Crohns Colitis. 2017 Mar 1;11(3):321-334. doi: 10.1093/ecco-jcc/jjw158. [PubMed:27609529 ]
Ulcerative colitis
Kolho KL, Pessia A, Jaakkola T, de Vos WM, Velagapudi V: Faecal and Serum Metabolomics in Paediatric Inflammatory Bowel Disease. J Crohns Colitis. 2017 Mar 1;11(3):321-334. doi: 10.1093/ecco-jcc/jjw158. [PubMed:27609529 ]
Colorectal cancer
Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]
Eosinophilic esophagitis
Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work). NA.

Associated OMIM IDs

104300 (Alzheimer's disease)
266600 (Crohn's disease)
114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

External Links

DrugBank ID

DB01638

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Sorbitol

METLIN ID

Not Available

PubChem Compound

5780

PDB ID

Not Available

ChEBI ID

17924

Food Biomarker Ontology

Not Available

VMH ID

SBT_D

MarkerDB ID

MDB00000120

Good Scents ID

Not Available

References

Synthesis Reference

Liu, Haichao; Luo, Chen. Method for manufacturing sorbitol and mannitol with cellulose. Faming Zhuanli Shenqing Gongkai Shuomingshu (2007), 8pp.

Material Safety Data Sheet (MSDS)

Download (PDF)

General References

Sreekumar A, Poisson LM, Rajendiran TM, Khan AP, Cao Q, Yu J, Laxman B, Mehra R, Lonigro RJ, Li Y, Nyati MK, Ahsan A, Kalyana-Sundaram S, Han B, Cao X, Byun J, Omenn GS, Ghosh D, Pennathur S, Alexander DC, Berger A, Shuster JR, Wei JT, Varambally S, Beecher C, Chinnaiyan AM: Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression. Nature. 2009 Feb 12;457(7231):910-4. doi: 10.1038/nature07762. [PubMed:19212411 ]
Airey CM, Price DE, Kemp JV, Perkins CM, Wales JK: The effect of aldose reductase inhibition on erythrocyte polyols and galactitol accumulation in diabetic patients. Diabet Med. 1989 Dec;6(9):804-8. [PubMed:2533041 ]
Shetty HU, Holloway HW, Rapoport SI: Capillary gas chromatography combined with ion trap detection for quantitative profiling of polyols in cerebrospinal fluid and plasma. Anal Biochem. 1995 Jan 1;224(1):279-85. [PubMed:7710082 ]
Sundkvist G, Dahlin LB, Nilsson H, Eriksson KF, Lindgarde F, Rosen I, Lattimer SA, Sima AA, Sullivan K, Greene DA: Sorbitol and myo-inositol levels and morphology of sural nerve in relation to peripheral nerve function and clinical neuropathy in men with diabetic, impaired, and normal glucose tolerance. Diabet Med. 2000 Apr;17(4):259-68. [PubMed:10821291 ]
Morenkova SA: [Comparative analysis of dependence of saliva sorbitol and fructosamine levels on blood glucose level in patients with diabetes]. Biomed Khim. 2004;50(6):612-4. [PubMed:15707277 ]
Bareford D, Jennings PE, Stone PC, Baar S, Barnett AH, Stuart J: Effects of hyperglycaemia and sorbitol accumulation on erythrocyte deformability in diabetes mellitus. J Clin Pathol. 1986 Jul;39(7):722-7. [PubMed:3090107 ]
Ciuchi E, Odetti P, Prando R: Relationship between glutathione and sorbitol concentrations in erythrocytes from diabetic patients. Metabolism. 1996 May;45(5):611-3. [PubMed:8622605 ]
Kwang-Hyok S, Ui-Nam P, Sarkar C, Bhadra R: A sensitive assay of red blood cell sorbitol level by high performance liquid chromatography: potential for diagnostic evaluation of diabetes. Clin Chim Acta. 2005 Apr;354(1-2):41-7. Epub 2005 Jan 18. [PubMed:15748598 ]
Nau R: Osmotherapy for elevated intracranial pressure: a critical reappraisal. Clin Pharmacokinet. 2000 Jan;38(1):23-40. [PubMed:10668857 ]
Belanger DR, Tierney MG, Dickinson G: Effect of sodium polystyrene sulfonate on lithium bioavailability. Ann Emerg Med. 1992 Nov;21(11):1312-5. [PubMed:1416324 ]
Ciuchi E, Odetti P, Prando R: The effect of acute glutathione treatment on sorbitol level in erythrocytes from diabetic patients. Diabetes Metab. 1997 Feb;23(1):58-60. [PubMed:9059767 ]
Shinohara R, Ohta Y, Yamauchi M, Ishiguro I: Improved fluorometric enzymatic sorbitol assay in human blood. Clin Chim Acta. 1998 May 25;273(2):171-84. [PubMed:9657347 ]
Peterson MJ, Page MG, Just LJ, Aldinger CE, Malone JI: Applicability of red blood cell sorbitol measurements to monitor the clinical activity of sorbinil. Metabolism. 1986 Apr;35(4 Suppl 1):93-5. [PubMed:3515121 ]
Vertommen J, Rillaerts E, Gysels M, De Leeuw I: Erythrocyte sorbitol content in diabetic patients: relation to metabolic control. Diabete Metab. 1987 Jun;13(3):182-6. [PubMed:3301442 ]
Cunningham JJ, Mearkle PL, Brown RG: Vitamin C: an aldose reductase inhibitor that normalizes erythrocyte sorbitol in insulin-dependent diabetes mellitus. J Am Coll Nutr. 1994 Aug;13(4):344-50. [PubMed:7963139 ]
Kamon N, Mabuchi H, Takeda R, Terashima H: Effects of aldose reductase inhibitor (ONO-2235) on human erythrocyte sorbitol concentrations in 75 g oral glucose tolerance tests. Horm Metab Res. 1991 May;23(5):226-9. [PubMed:1908433 ]
Sizeland PC, Chambers ST, Lever M, Bason LM, Robson RA: Short-term response of nonurea organic osmolytes in human kidney to a water load and water deprivation. Am J Physiol. 1995 Feb;268(2 Pt 2):F227-33. [PubMed:7864160 ]
van Griensven JM, Jusko WJ, Lemkes HH, Kroon R, Verhorst CJ, Chiang ST, Cohen AF: Tolrestat pharmacokinetic and pharmacodynamic effects on red blood cell sorbitol levels in normal volunteers and in patients with insulin-dependent diabetes. Clin Pharmacol Ther. 1995 Dec;58(6):631-40. [PubMed:8529328 ]
Regenold WT, Kling MA, Hauser P: Elevated sorbitol concentration in the cerebrospinal fluid of patients with mood disorders. Psychoneuroendocrinology. 2000 Aug;25(6):593-606. [PubMed:10840171 ]
Gehring H, Hornberger C, Dibbelt L, Dorges V, Eichenauer R, Schmucker P: Detecting and quantifying absorbed irrigation fluid by measuring mannitol and sorbitol concentrations in serum samples, and by ethanol monitoring. BJU Int. 2002 Feb;89(3):202-7. [PubMed:11856099 ]
Burggraaf J, Schoemaker RC, Lentjes EG, Cohen AF: Sorbitol as a marker for drug-induced decreases of variable duration in liver blood flow in healthy volunteers. Eur J Pharm Sci. 2000 Dec;12(2):133-9. [PubMed:11102741 ]
Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]

Enzymes

Enzyme Details

1. Aldose reductase

General function:: Involved in oxidoreductase activity
Specific function:: Catalyzes the NADPH-dependent reduction of a wide variety of carbonyl-containing compounds to their corresponding alcohols with a broad range of catalytic efficiencies.
Gene Name:: AKR1B1
Uniprot ID:: P15121
Molecular weight:: 35853.125

Reactions

Sorbitol + NADP → alpha-D-Glucose + NADPH + Hydrogen Ion	details

Enzyme Details

2. Glucokinase

General function:: Involved in ATP binding
Specific function:: Catalyzes the initial step in utilization of glucose by the beta-cell and liver at physiological glucose concentration. Glucokinase has a high Km for glucose, and so it is effective only when glucose is abundant. The role of GCK is to provide G6P for the synthesis of glycogen. Pancreatic glucokinase plays an important role in modulating insulin secretion. Hepatic glucokinase helps to facilitate the uptake and conversion of glucose by acting as an insulin-sensitive determinant of hepatic glucose usage.
Gene Name:: GCK
Uniprot ID:: P35557
Molecular weight:: 52191.07

Enzyme Details

3. Hexokinase-3

General function:: Involved in ATP binding
Specific function:: Not Available
Gene Name:: HK3
Uniprot ID:: P52790
Molecular weight:: 99024.56

Enzyme Details

4. Hexokinase-2

General function:: Involved in ATP binding
Specific function:: Not Available
Gene Name:: HK2
Uniprot ID:: P52789
Molecular weight:: 102379.06

Enzyme Details

5. Sorbitol dehydrogenase

General function:: Involved in zinc ion binding
Specific function:: Converts sorbitol to fructose. Part of the polyol pathway that plays an important role in sperm physiology. May play a role in the sperm motility by providing an energetic source for sperm (By similarity).
Gene Name:: SORD
Uniprot ID:: Q00796
Molecular weight:: 38324.25

Reactions

Sorbitol + NAD → D-Fructose + NADH + Hydrogen Ion	details

Enzyme Details

6. Alpha-galactosidase A

General function:: Involved in catalytic activity
Specific function:: Not Available
Gene Name:: GLA
Uniprot ID:: P06280
Molecular weight:: Not Available

Reactions

Melibiitol + Water → Sorbitol + beta-D-Galactose	details

Enzyme Details

7. Glycophorin-B

General function:: Not Available
Specific function:: This protein is a minor sialoglycoprotein in erythrocyte membranes
Gene Name:: GYPB
Uniprot ID:: P06028
Molecular weight:: 9795.6

Enzyme Details

8. Aldo-keto reductase family 1 member B10

General function:: Not Available
Specific function:: Acts as all-trans-retinaldehyde reductase. Can efficiently reduce aliphatic and aromatic aldehydes, and is less active on hexoses (in vitro). May be responsible for detoxification of reactive aldehydes in the digested food before the nutrients are passed on to other organs.
Gene Name:: AKR1B10
Uniprot ID:: O60218
Molecular weight:: Not Available

Reactions

Sorbitol + NADP → alpha-D-Glucose + NADPH + Hydrogen Ion	details

Showing metabocard for Sorbitol (HMDB0000247)

MOL for HMDB0000247 (Sorbitol)

3D MOL for HMDB0000247 (Sorbitol)

3D SDF for HMDB0000247 (Sorbitol)

3D-SDF for HMDB0000247 (Sorbitol)

PDB for HMDB0000247 (Sorbitol)

3D PDB for HMDB0000247 (Sorbitol)

SMILES for HMDB0000247 (Sorbitol)

INCHI for HMDB0000247 (Sorbitol)

Structure for HMDB0000247 (Sorbitol)

3D Structure for HMDB0000247 (Sorbitol)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

IR Spectra

Enzymes

Reactions

Reactions

Reactions

Reactions