MiMeDB: Showing metabocard for Sorbitol (MMDBc0000085)

Plant

Animal

Pharmaceutical

Xenobiotic

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2020-10-27 23:29:50 UTC

Update Date

2024-09-27 22:15:29 UTC

Metabolite ID

MMDBc0000085

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

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

Molecular Formula

C₆H₁₄O₆

Average Mass

182.1718

Monoisotopic Mass

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 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted 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

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)	splash10-0ldj-0941000000-19d96a9ba7ba0c482c83	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (6 TMS)	splash10-014i-1973000000-d907b75f68a7927501a7	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0ldj-0941000000-19d96a9ba7ba0c482c83	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-014i-1973000000-d907b75f68a7927501a7	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0ktb-0931000000-4ffadb4b25e8e2510d93	2017-09-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-03k9-9500000000-97c5853d3e9b96f9d054	2016-09-22	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (6 TMS) - 70eV, Positive	splash10-0a6s-7141193000-dcd9245e12314ee0ced4	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)	splash10-017j-8900000000-700285f86eac0a3501d1	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)	splash10-066r-9000000000-84676b839b145250d67d	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)	splash10-052f-9000000000-dce72cab270c488d65da	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , negative	splash10-0ik9-2900000000-26a16e983791be7818f2	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , negative	splash10-0ik9-2900000000-6513771e890cbff9c402	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT , positive	splash10-014j-0900000000-58e6917626e28d1830a2	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , positive	splash10-001i-0900000000-83169b2192f847cc0636	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , positive	splash10-03di-0900000000-4cd721d87e359527adf3	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , positive	splash10-03di-0900000000-b44f68c64bc74e79e9fc	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , positive	splash10-001i-0900000000-bbb5e957a9e67ddc411e	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , positive	splash10-000i-0900000000-772c3052966c05f29842	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , positive	splash10-000i-0900000000-d1fbea514e7f1c1628f2	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , positive	splash10-0udi-0790000000-b5b098cd5b4b4ec10821	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Linear Ion Trap , positive	splash10-0udi-0690000000-41d4e48d49836c63485c	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 35V, Negative	splash10-0002-9200000000-9b9f891e480758a7d333	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Positive	splash10-014j-0900000000-6ed9009701977f0a1c00	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Positive	splash10-00kb-1900000000-7cc0793661b053aaf61e	2021-09-20	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001i-2900000000-ef92b9091ecf5d15cdee	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03di-9300000000-47f19bd4e51bff726536	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03dl-9100000000-60d5147d8e349337fe97	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-07ju-8900000000-36f0fe0f346a6424162a	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0c0c-9200000000-36e85b5ec098a45204c3	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0btc-9000000000-77703ee971336704163f	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0002-3900000000-6801fbed6b67e0df2d20	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03dl-9000000000-4454dcd4b817c183328b	2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, experimental)		2016-10-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, experimental)		2021-10-10	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)		2012-12-05	View Spectrum

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (eluted)	2025-10-23	409.5
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	361.6
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-23	48.3
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	229.9
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	324.0
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (void)	2025-10-23	328.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	611.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	764.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	898.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	176.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	414.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	193.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	19.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	375.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	736.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	85.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	303.8
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	850.0
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	609.9

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Sorbitol_TMS_1	C[Si](C)(C)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	standard non polar	2025-10-23	1173.53
Gas Chromatography	Sorbitol_TMS_2	C[Si](C)(C)O[C@@H](CO)[C@@H](O)[C@H](O)[C@H](O)CO	standard non polar	2025-10-23	2153.89
Gas Chromatography	Sorbitol_TMS_3	C[Si](C)(C)O[C@H]([C@@H](O)CO)[C@H](O)[C@H](O)CO	standard non polar	2025-10-23	1339.69
Gas Chromatography	Sorbitol_TMS_4	C[Si](C)(C)O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)CO	standard non polar	2025-10-23	2291.67
Gas Chromatography	Sorbitol_TMS_5	C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)CO	standard non polar	2025-10-23	1953.14
Gas Chromatography	Sorbitol_TMS_6	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO	standard non polar	2025-10-23	1504.38
Gas Chromatography	Sorbitol_TMS_7	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H](O)CO	standard non polar	2025-10-23	1975.42
Gas Chromatography	Sorbitol_TMS_8	C[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO	standard non polar	2025-10-23	1947.2
Gas Chromatography	Sorbitol_TMS_9	C[Si](C)(C)OC[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-23	1897.71
Gas Chromatography	Sorbitol_TMS_10	C[Si](C)(C)OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-23	2214.6
Gas Chromatography	Sorbitol_TMS_11	C[Si](C)(C)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-23	1288.57
Gas Chromatography	Sorbitol_TMS_12	C[Si](C)(C)O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO	standard non polar	2025-10-23	1821.22
Gas Chromatography	Sorbitol_TMS_13	C[Si](C)(C)O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-23	2617.6
Gas Chromatography	Sorbitol_TMS_14	C[Si](C)(C)O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-23	1651.34
Gas Chromatography	Sorbitol_TMS_15	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](CO)O[Si](C)(C)C	standard non polar	2025-10-23	1677.53
Gas Chromatography	Sorbitol_TMS_16	C[Si](C)(C)O[C@H]([C@@H](O)CO)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-23	2175.41
Gas Chromatography	Sorbitol_TMS_17	C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)CO	standard non polar	2025-10-23	2089.12
Gas Chromatography	Sorbitol_TMS_18	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)CO	standard non polar	2025-10-23	1537.18
Gas Chromatography	Sorbitol_TMS_19	C[Si](C)(C)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@H](O)[C@@H](O)CO	standard non polar	2025-10-23	1898.47
Gas Chromatography	Sorbitol_TMS_20	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)CO	standard non polar	2025-10-23	2219.97
Gas Chromatography	Sorbitol_TMS_21	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)CO	standard non polar	2025-10-23	1505.66
Gas Chromatography	Sorbitol_TMS_22	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	standard non polar	2025-10-23	1734.49
Gas Chromatography	Sorbitol_TMS_23	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	standard non polar	2025-10-23	1644.32
Gas Chromatography	Sorbitol_TMS_24	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	standard non polar	2025-10-23	2024.85
Gas Chromatography	Sorbitol_TMS_25	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	standard non polar	2025-10-23	1336.07
Gas Chromatography	Sorbitol_TMS_26	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	standard non polar	2025-10-23	1959.62
Gas Chromatography	Sorbitol_TMS_27	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	standard non polar	2025-10-23	1837.1
Gas Chromatography	Sorbitol_TMS_28	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	standard non polar	2025-10-23	1261.75
Gas Chromatography	Sorbitol_TMS_29	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	standard non polar	2025-10-23	1544.95
Gas Chromatography	Sorbitol_TMS_30	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	standard non polar	2025-10-23	1541.83
Gas Chromatography	Sorbitol_TMS_31	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	standard non polar	2025-10-23	1731.33
Gas Chromatography	Sorbitol_TMS_32	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	standard non polar	2025-10-23	2100.62
Gas Chromatography	Sorbitol_TMS_33	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	standard non polar	2025-10-23	1540.88
Gas Chromatography	Sorbitol_TMS_34	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	standard non polar	2025-10-23	1646.6
Gas Chromatography	Sorbitol_TMS_35	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	standard non polar	2025-10-23	1312.33
Gas Chromatography	Sorbitol_TMS_36	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	standard non polar	2025-10-23	2137.65
Gas Chromatography	Sorbitol_TMS_37	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	standard non polar	2025-10-23	2540.37
Gas Chromatography	Sorbitol_TMS_38	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	standard non polar	2025-10-23	2442.3
Gas Chromatography	Sorbitol_TMS_39	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	standard non polar	2025-10-23	1397.77
Gas Chromatography	Sorbitol_TMS_40	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	standard non polar	2025-10-23	2797.94
Gas Chromatography	Sorbitol_TMS_41	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	standard non polar	2025-10-23	2138.53
Gas Chromatography	Sorbitol_TMS_42	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	standard non polar	2025-10-23	1276.06
Gas Chromatography	Sorbitol_TMS_43	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	standard non polar	2025-10-23	2338.89
Gas Chromatography	Sorbitol_TMS_44	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	standard non polar	2025-10-23	1637.87
Gas Chromatography	Sorbitol_TMS_45	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	standard non polar	2025-10-23	2202.24
Gas Chromatography	Sorbitol_TMS_46	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	standard non polar	2025-10-23	1847.36
Gas Chromatography	Sorbitol_TMS_47	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	standard non polar	2025-10-23	1403.92
Gas Chromatography	Sorbitol_TMS_48	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	standard non polar	2025-10-23	2031.34
Gas Chromatography	Sorbitol_TMS_49	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	standard non polar	2025-10-23	1984.25
Gas Chromatography	Sorbitol_TMS_50	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	standard non polar	2025-10-23	2697.53
Gas Chromatography	Sorbitol_TMS_51	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	standard non polar	2025-10-23	1338.21
Gas Chromatography	Sorbitol_TMS_52	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	standard non polar	2025-10-23	2109.42
Gas Chromatography	Sorbitol_TMS_53	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	standard non polar	2025-10-23	1661.98
Gas Chromatography	Sorbitol_TMS_54	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	standard non polar	2025-10-23	1798.56
Gas Chromatography	Sorbitol_TMS_55	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	standard non polar	2025-10-23	1063.77
Gas Chromatography	Sorbitol_TMS_56	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	standard non polar	2025-10-23	1902.96
Gas Chromatography	Sorbitol_TMS_57	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	standard non polar	2025-10-23	1549.75
Gas Chromatography	Sorbitol_TMS_58	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	standard non polar	2025-10-23	2802.79
Gas Chromatography	Sorbitol_TMS_59	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	standard non polar	2025-10-23	1044.62
Gas Chromatography	Sorbitol_TMS_60	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	standard non polar	2025-10-23	1731.73
Gas Chromatography	Sorbitol_TMS_61	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	standard non polar	2025-10-23	3112.08
Gas Chromatography	Sorbitol_TMS_62	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	standard non polar	2025-10-23	1352.53
Gas Chromatography	Sorbitol_TMS_63	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	standard non polar	2025-10-23	1464.48
Gas Chromatography	Sorbitol_TMS_1	C[Si](C)(C)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	standard polar	2025-10-23	2413.32
Gas Chromatography	Sorbitol_TMS_2	C[Si](C)(C)O[C@@H](CO)[C@@H](O)[C@H](O)[C@H](O)CO	standard polar	2025-10-23	1730.21
Gas Chromatography	Sorbitol_TMS_3	C[Si](C)(C)O[C@H]([C@@H](O)CO)[C@H](O)[C@H](O)CO	standard polar	2025-10-23	2416.98
Gas Chromatography	Sorbitol_TMS_4	C[Si](C)(C)O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)CO	standard polar	2025-10-23	2365.28
Gas Chromatography	Sorbitol_TMS_5	C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)CO	standard polar	2025-10-23	2112.43
Gas Chromatography	Sorbitol_TMS_6	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO	standard polar	2025-10-23	2008.34
Gas Chromatography	Sorbitol_TMS_7	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H](O)CO	standard polar	2025-10-23	2001.44
Gas Chromatography	Sorbitol_TMS_8	C[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO	standard polar	2025-10-23	1706.28
Gas Chromatography	Sorbitol_TMS_9	C[Si](C)(C)OC[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-23	2664.43
Gas Chromatography	Sorbitol_TMS_10	C[Si](C)(C)OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-23	2070.24
Gas Chromatography	Sorbitol_TMS_11	C[Si](C)(C)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-23	1901.28
Gas Chromatography	Sorbitol_TMS_12	C[Si](C)(C)O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO	standard polar	2025-10-23	1737.14
Gas Chromatography	Sorbitol_TMS_13	C[Si](C)(C)O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-23	2404.96
Gas Chromatography	Sorbitol_TMS_14	C[Si](C)(C)O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-23	1893.98
Gas Chromatography	Sorbitol_TMS_15	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](CO)O[Si](C)(C)C	standard polar	2025-10-23	2323.2
Gas Chromatography	Sorbitol_TMS_16	C[Si](C)(C)O[C@H]([C@@H](O)CO)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-23	1769.96
Gas Chromatography	Sorbitol_TMS_17	C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)CO	standard polar	2025-10-23	2161.39
Gas Chromatography	Sorbitol_TMS_18	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)CO	standard polar	2025-10-23	1811.82
Gas Chromatography	Sorbitol_TMS_19	C[Si](C)(C)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@H](O)[C@@H](O)CO	standard polar	2025-10-23	1812.21
Gas Chromatography	Sorbitol_TMS_20	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)CO	standard polar	2025-10-23	1693.7
Gas Chromatography	Sorbitol_TMS_21	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)CO	standard polar	2025-10-23	2027.04
Gas Chromatography	Sorbitol_TMS_22	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	standard polar	2025-10-23	1772.12
Gas Chromatography	Sorbitol_TMS_23	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	standard polar	2025-10-23	2278.75
Gas Chromatography	Sorbitol_TMS_24	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	standard polar	2025-10-23	1419.35
Gas Chromatography	Sorbitol_TMS_25	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	standard polar	2025-10-23	1715.76
Gas Chromatography	Sorbitol_TMS_26	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	standard polar	2025-10-23	2091.63
Gas Chromatography	Sorbitol_TMS_27	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	standard polar	2025-10-23	1689.2
Gas Chromatography	Sorbitol_TMS_28	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	standard polar	2025-10-23	1825.69
Gas Chromatography	Sorbitol_TMS_29	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	standard polar	2025-10-23	2569.3
Gas Chromatography	Sorbitol_TMS_30	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	standard polar	2025-10-23	2471.22
Gas Chromatography	Sorbitol_TMS_31	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	standard polar	2025-10-23	1801.36
Gas Chromatography	Sorbitol_TMS_32	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	standard polar	2025-10-23	2063.11
Gas Chromatography	Sorbitol_TMS_33	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	standard polar	2025-10-23	1220.1
Gas Chromatography	Sorbitol_TMS_34	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	standard polar	2025-10-23	2623.26
Gas Chromatography	Sorbitol_TMS_35	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	standard polar	2025-10-23	1436.69
Gas Chromatography	Sorbitol_TMS_36	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	standard polar	2025-10-23	1901.59
Gas Chromatography	Sorbitol_TMS_37	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	standard polar	2025-10-23	2316.07
Gas Chromatography	Sorbitol_TMS_38	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	standard polar	2025-10-23	2008.98
Gas Chromatography	Sorbitol_TMS_39	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	standard polar	2025-10-23	1704.26
Gas Chromatography	Sorbitol_TMS_40	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	standard polar	2025-10-23	2085.79
Gas Chromatography	Sorbitol_TMS_41	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	standard polar	2025-10-23	2144.69
Gas Chromatography	Sorbitol_TMS_42	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	standard polar	2025-10-23	3075.42
Gas Chromatography	Sorbitol_TMS_43	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	standard polar	2025-10-23	2239.03
Gas Chromatography	Sorbitol_TMS_44	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	standard polar	2025-10-23	1283.03
Gas Chromatography	Sorbitol_TMS_45	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	standard polar	2025-10-23	1567.91
Gas Chromatography	Sorbitol_TMS_46	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	standard polar	2025-10-23	1184.96
Gas Chromatography	Sorbitol_TMS_47	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	standard polar	2025-10-23	2305.42
Gas Chromatography	Sorbitol_TMS_48	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	standard polar	2025-10-23	2217.79
Gas Chromatography	Sorbitol_TMS_49	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	standard polar	2025-10-23	1836.65
Gas Chromatography	Sorbitol_TMS_50	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	standard polar	2025-10-23	2758.61
Gas Chromatography	Sorbitol_TMS_51	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	standard polar	2025-10-23	1724.35
Gas Chromatography	Sorbitol_TMS_52	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	standard polar	2025-10-23	2405.42
Gas Chromatography	Sorbitol_TMS_53	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	standard polar	2025-10-23	1664.27
Gas Chromatography	Sorbitol_TMS_54	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	standard polar	2025-10-23	2660.08
Gas Chromatography	Sorbitol_TMS_55	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	standard polar	2025-10-23	1905.92
Gas Chromatography	Sorbitol_TMS_56	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	standard polar	2025-10-23	1780.06
Gas Chromatography	Sorbitol_TMS_57	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	standard polar	2025-10-23	2868.82
Gas Chromatography	Sorbitol_TMS_58	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	standard polar	2025-10-23	2010.85
Gas Chromatography	Sorbitol_TMS_59	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	standard polar	2025-10-23	1458.39
Gas Chromatography	Sorbitol_TMS_60	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	standard polar	2025-10-23	2039.3
Gas Chromatography	Sorbitol_TMS_61	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	standard polar	2025-10-23	1870.76
Gas Chromatography	Sorbitol_TMS_62	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	standard polar	2025-10-23	1893.98
Gas Chromatography	Sorbitol_TMS_63	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	standard polar	2025-10-23	1324.21

Biological Properties

Cellular Locations

Extracellular
Membrane

Biospecimen Locations

Adipose Tissue
Adrenal Medulla
Bladder
Blood
Cerebrospinal Fluid (CSF)
Erythrocyte
Eye Lens
Feces
Fibroblasts
Kidney
Liver
Neuron
Placenta
Platelet
Prostate
Retina
Saliva
Urine

Tissue Locations

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

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191761	Aldose reductase	Unknown	P15121	Homo sapiens
MMDBp0191880	Glucokinase	Enzyme	P35557	Homo sapiens
MMDBp0191882	Hexokinase-3	Enzyme	P52790	Homo sapiens
MMDBp0191883	Hexokinase-2	Enzyme	P52789	Homo sapiens
MMDBp0192160	Sorbitol dehydrogenase	Unknown	Q00796	Homo sapiens
MMDBp0192361	Alpha-galactosidase A	Enzyme	P06280	Homo sapiens
MMDBp0193363	Glycophorin-B	Enzyme	P06028	Homo sapiens
MMDBp0196682	Aldo-keto reductase family 1 member B10	Unknown	O60218

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Name	SMPDB/PathBank	Species
Phosphotransferase system (PTS)		Escherichia coli Escherichia coli SMS-3-5 Escherichia coli UTI89 Escherichia coli 55989 Escherichia coli SE11 Escherichia coli CFT073 Bacillus subtilis Klebsiella pneumoniae Bacillus cereus Bacillus amyloliquefaciens Streptococcus pneumoniae Clostridium saccharoperbutylacetonicum N1-4(HMT) Salmonella enterica Clostridium acetobutylicum ATCC 824 Staphylococcus aureus Clostridium perfringens Clostridium sporogenes Streptococcus pneumoniae TIGR4 Anaerococcus prevotii DSM 20548 Anaerostipes caccae Anaerostipes hadrus Bacillus cereus AH187 (F4810/72) Bacillus halodurans C-125 Clostridium beijerinckii NCIMB 8052 Clostridium botulinum Clostridium perfringens ATCC 13124 Clostridium saccharolyticum Collinsella aerofaciens Enterococcus faecalis Enterococcus hirae ATCC 9790 Lactobacillus paracasei Megamonas hypermegale Ruminococcus torques L2-14 lactobacillus crispatus lactobacillus jensenii Citrobacter koseri Proteus mirabilis Shigella boydii Shigella dysenteriae Shigella flexneri Shigella sonnei Aeromonas hydrophila Vibrio vulnificus Fusobacterium ulcerans Streptococcus gordonii Streptococcus oralis Streptococcus sanguinis Streptococcus mutans Streptococcus agalactiae Streptococcus pyogenes Streptococcus dysgalactiae Streptococcus equinus Streptococcus equi Streptococcus uberis Enterococcus gallinarum Lancefieldella rimae Bacillus licheniformis Priestia megaterium Bacillus pumilus Bacillus thuringiensis Clostridium butyricum Lactobacillus delbrueckii Lactobacillus plantarum Lactobacillus gasseri Lactobacillus sakei Lactobacillus amylovorus Lactobacillus salivarius Listeria monocytogenes Staphylococcus lugdunensis Enterococcus avium Lactobacillus johnsonii Enterococcus casseliflavus Eubacterium ventriosum Enterococcus cecorum Streptococcus cristatus Mitsuokella multacida Brachyspira pilosicoli Enterococcus durans Holdemania filiformis Streptococcus peroris Enterobacter cancerogenus Streptococcus constellatus Bacillus clausii Peptacetobacter hiranonis Citrobacter youngae Leuconostoc kimchii Collinsella stercoris Lactobacillus iners Streptococcus lutetiensis Escherichia albertii Lactobacillus ultunensis Streptococcus pseudopneumoniae Streptococcus gallolyticus Clostridium beijerinckii Enterococcus faecium Enterococcus hirae Gemella sanguinis Klebsiella variicola Lactobacillus rhamnosus Lactobacillus ruminis Lactococcus lactis Streptococcus parasanguinis Streptococcus suis Gemella haemolysans Granulicatella adiacens Aeromonas hydrophila subsp. hydrophila ATCC 7966 Atopobium parvulum DSM 20469 Bacillus megaterium QM B1551 Bacillus thuringiensis serovar konkukian str. 97-27 Bacillus licheniformis ATCC 14580 Bacillus clausii KSM-K16 Bacillus amyloliquefaciens FZB42 Bacillus pumilus SAFR-032 Bacillus cereus B4264 Bacillus cereus Q1 Priestia megaterium DSM 319 Bacillus subtilis subsp. spizizenii str. W23 Bacillus amyloliquefaciens DSM 7 Citrobacter koseri ATCC BAA-895 Clostridium perfringens str. 13 Clostridium botulinum A str. Hall Clostridium botulinum B1 str. Okra Clostridium botulinum A2 str. Kyoto Clostridium botulinum Ba4 str. 657 Clostridium perfringens SM101 Cronobacter sakazakii ATCC BAA-894 Enterobacter cloacae subsp. cloacae ATCC 13047 Escherichia coli APEC O1 Escherichia coli E24377A Escherichia coli O127:H6 str. E2348/69 Escherichia coli UMN026 Escherichia fergusonii ATCC 35469 Escherichia coli ED1a Escherichia coli IAI39 Klebsiella pneumoniae subsp. pneumoniae MGH 78578 Lactobacillus plantarum WCFS1 Lactobacillus johnsonii NCC 533 Lactobacillus salivarius UCC118 Lactobacillus casei ATCC 334 Lactobacillus amylovorus GRL 1112 Lactococcus lactis subsp. lactis Il1403 Lactococcus lactis subsp. cremoris MG1363 Escherichia coli 042 Edwardsiella tarda FL6-60 Pediococcus pentosaceus ATCC 25745 Proteus mirabilis HI4320 Salmonella enterica subsp. enterica serovar Typhimurium str. LT2 Salmonella enterica subsp. enterica serovar Newport str. SL254 Salmonella enterica subsp. enterica serovar Heidelberg str. SL476 Salmonella enterica subsp. enterica serovar Agona str. SL483 Salmonella enterica subsp. enterica serovar Dublin str. CT02021853 Shigella sonnei Ss046 Shigella dysenteriae Sd197 Shigella flexneri 5 str. 8401 Staphylococcus aureus subsp. aureus Mu50 Staphylococcus aureus subsp. aureus COL Staphylococcus aureus subsp. aureus MRSA252 Staphylococcus haemolyticus JCSC1435 Staphylococcus aureus subsp. aureus NCTC 8325 Streptococcus agalactiae 2603V/R Streptococcus mutans UA159 Streptococcus agalactiae NEM316 Streptococcus pyogenes MGAS9429 Streptococcus pneumoniae D39 Streptococcus sanguinis SK36 Streptococcus gordonii str. Challis substr. CH1 Streptococcus pneumoniae Hungary19A-6 Streptococcus pyogenes NZ131 Streptococcus uberis 0140J Streptococcus pneumoniae JJA Streptococcus equi subsp. equi 4047 Streptococcus oralis Uo5 Vibrio parahaemolyticus RIMD 2210633 Yersinia enterocolitica subsp. enterocolitica 8081 Yersinia pseudotuberculosis IP 31758 Cetobacterium somerae ATCC BAA-474 Aeromonas caviae Aeromonas media Aeromonas veronii Cedecea davisae Cedecea davisae DSM 4568 Citrobacter amalonaticus Citrobacter amalonaticus Y19 Citrobacter freundii Citrobacter youngae ATCC 29220 Enterobacter hormaechei Escherichia albertii TW07627 Klebsiella aerogenes Salmonella Salmonella enterica subsp. enterica serovar Typhimurium Trabulsiella guamensis Trabulsiella guamensis ATCC 49490 Tatumella ptyseos Tatumella ptyseos ATCC 33301 Edwardsiella tarda Edwardsiella tarda ATCC 23685 Hafnia alvei Hafnia alvei ATCC 51873 Providencia rustigianii DSM 4541 Providencia stuartii ATCC 25827 Serratia marcescens subsp. marcescens Db11 Yersinia enterocolitica Yersinia pestis Yersinia pseudotuberculosis Vibrio fluvialis Vibrio fluvialis PG41 Vibrio parahaemolyticus Vibrio mimicus Atopobium minutum 10063974 Lancefieldella rimae ATCC 49626 Olsenella profusa F0195 Collinsella intestinalis DSM 13280 Collinsella stercoris DSM 13279 Collinsella tanakaei YIT 12063 Bacillus altitudinis Bacillus infantis NRRL B-14911 Bacillus firmus DS1 Listeria grayi Listeria grayi DSM 20601 Listeria monocytogenes 10403S Exiguobacterium aurantiacum Abiotrophia defectiva Abiotrophia defectiva ATCC 49176 Granulicatella adiacens ATCC 49175 Granulicatella elegans Granulicatella elegans ATCC 700633 Enterococcus asini ATCC 700915 Enterococcus caccae ATCC BAA-1240 Enterococcus casseliflavus ATCC 12755 Enterococcus cecorum DSM 20682 = ATCC 43198 Enterococcus dispar ATCC 51266 Enterococcus phoeniculicola ATCC BAA-412 Lactobacillus paracasei subsp. paracasei 8700:2 Lactobacillus rhamnosus LMS2-1 Lactobacillus iners DSM 13335 Lactobacillus ultunensis DSM 16047 Lactobacillus salivarius DSM 20555 = ATCC 11741 Lactobacillus gastricus PS3 Lactobacillus coryniformis subsp. coryniformis CECT 5711 Pediococcus acidilactici DSM 20284 Pediococcus pentosaceus Oenococcus oeni Lactococcus garvieae Streptococcus constellatus subsp. pharyngis SK1060 = CCUG 46377 Streptococcus australis ATCC 700641 Streptococcus equi subsp. zooepidemicus H70 Streptococcus equi subsp. zooepidemicus MGCS10565 Streptococcus equinus ATCC 9812 Streptococcus infantis ATCC 700779 Clostridium butyricum E4 str. BoNT E BL5262 Clostridium celatum DSM 1785 Clostridium sartagoforme AAU1 Eubacterium ventriosum ATCC 27560 Anaerostipes caccae DSM 14662 Clostridium asparagiforme DSM 15981 [Clostridium] bolteae ATCC BAA-613 Clostridium citroniae WAL-17108 [Clostridium] innocuum 2959 Holdemania filiformis DSM 12042 Kandleria vitulina Kandleria vitulina DSM 20405 Solobacterium moorei F0204 Mitsuokella multacida DSM 20544 Vibrio cholerae M66-2 Vibrio cholerae O1 biovar El Tor str. N16961 Clostridioides difficile 630 Clostridioides difficile NAP08 Streptococcus mitis B6 Streptococcus parasanguinis ATCC 15912 Streptococcus parasanguinis FW213 Streptococcus pasteurianus ATCC 43144 Streptococcus suis GZ1 Exiguobacterium sp. AT1b Geobacillus kaustophilus HTA426 Lactobacillus johnsonii FI9785 Lactobacillus crispatus ST1 Leuconostoc kimchii IMSNU 11154 Listeria innocua Clip11262 Listeria welshimeri serovar 6b str. SLCC5334 Oceanobacillus iheyensis HTE831 Oenococcus oeni PSU-1 Staphylococcus carnosus subsp. carnosus TM300 Streptococcus equi subsp. zooepidemicus Streptococcus suis BM407 Streptococcus gallolyticus UCN34 Symbiobacterium thermophilum IAM 14863 Thermoanaerobacter sp. X514 Thermoanaerobacter italicus Ab9 Thermoanaerobacterium thermosaccharolyticum DSM 571 Klebsiella aerogenes KCTC 2190 Halanaerobium hydrogeniformans Aeromonas salmonicida subsp. salmonicida A449 Vibrio fischeri MJ11 Aliivibrio salmonicida LFI1238 Brachyspira hyodysenteriae WA1 Citrobacter rodentium ICC168 Cronobacter turicensis z3032 Dickeya dadantii Ech703 Dickeya zeae Ech1591 Dickeya dadantii Ech586 Dickeya dadantii 3937 Enterobacter sp. 638 Enterobacter cloacae SCF1 Erwinia amylovora CFBP1430 Erwinia billingiae Eb661 Klebsiella pneumoniae 342 Pantoea ananatis LMG 20103 Pectobacterium atrosepticum SCRI1043 Pectobacterium carotovorum subsp. carotovorum PC1 Photobacterium profundum SS9 Photorhabdus luminescens subsp. laumondii TTO1 Photorhabdus asymbiotica subsp. asymbiotica ATCC 43949 Salmonella enterica subsp. enterica serovar Paratyphi A str. Sebaldella termitidis ATCC 33386 Shigella flexneri 2a str. 301 Shigella boydii Sb227 Shigella boydii CDC 3083-94 Streptobacillus moniliformis DSM 12112 Tolumonas auensis DSM 9187 Vibrio vulnificus CMCP6 Vibrio vulnificus YJ016 Atlantibacter hermannii NBRC 105704 Klebsiella michiganensis KCTC 1686 Chania multitudinisentens RB-25 Hungatella hathewayi DSM 13479

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0019473	Sorbitol	keto-D-fructose	Sorbitol dehydrogenase 1	Dehydrogenation	PathBank	31602464
MMDBr0025059	Sorbitol	L-Histidine	PTS system glucitol/sorbitol-specific EIIB component	Phosphorylation	RHEA	34755880

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference
Alzheimer's disease		Association	Human Cerebrospinal Fluid (CSF)	HMDB	8595727
Uremia	Increased	Association	Human Blood	HMDB	12675874
Eosinophilic esophagitis		Association	Human Urine	HMDB	Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria/Eubacteria	Proteobacteria	183	Human ; Human mucosa; Human feces; Human supragingival plaque; Human saliva; Human subgingival plaque; Human sputum; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human feces; pleural fluid plaque; bal	Microbial culture; Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Bacteria/Eubacteria	Firmicutes	446	Human ; Human supragingival plaque; Human saliva; Human subgingival plaque; Human feces; Human urine; Human sputum; Goat feces; Sheep feces; Human mucosa; Human vaginal fluid; Pig ; Cattle	Microbial culture; Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Bacteria/Eubacteria	Bacteroidetes	37	Human saliva; Human feces; Human urine; Human ; Human subgingival plaque; Human appendix biopsy	Microbial culture; Metabolic reconstruction
Bacteria/Eubacteria	Spirochaetes	3	Human feces	Microbial culture; Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	7	Human feces; Human saliva; Human supragingival plaque	Microbial culture; Unknown
Bacteria/Eubacteria	Deinococcus-thermus	1		Microbial culture
Bacteria/Eubacteria	Actinobacteria	110	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human supragingival plaque; Human mucosa; Human subgingival plaque; Human saliva	Microbial culture; Metabolic reconstruction
Bacteria/Eubacteria	Chloroflexi	1		Microbial culture
Bacteria/Eubacteria	Verrucomicrobia	2	Human ; Human feces	Metabolic reconstruction
Bacteria	Firmicutes	3	Human ; Human supragingival plaque; Human saliva; Human subgingival plaque; Human feces; Human urine; Human sputum; Goat feces; Sheep feces; Human mucosa; Human vaginal fluid; Pig ; Cattle	Microbial culture; Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria/Eubacteria	Fusobacteria	7	Human feces; Human	Metabolic reconstruction
Archaea	Euryarchaeota	1		Metabolic reconstruction
Bacteria/Eubacteria	Tenericutes	3	Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Synergistetes	1	Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Planctomycetes	1	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction
Bacteria	Proteobacteria	2	Human ; Human mucosa; Human feces; Human supragingival plaque; Human saliva; Human subgingival plaque; Human sputum; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human feces; pleural fluid plaque; bal	Microbial culture; Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Bacteria	Actinobacteria	1	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human supragingival plaque; Human mucosa; Human subgingival plaque; Human saliva	Microbial culture; Metabolic reconstruction

Exposure Sources

Food Exposures

Other Exposures

Source Type	Data Source	Reference
Drugs	U.S. Environmental Protection Agency	CompTox
Drugs - Antimicrobial	U.S. Environmental Protection Agency	CompTox
Cosmetics	U.S. Environmental Protection Agency	CompTox
Domestics	U.S. Environmental Protection Agency	CompTox
Domestics	U.S. Environmental Protection Agency	CompTox
Cosmetics	U.S. Environmental Protection Agency	CompTox
Food Additive	U.S. Food and Drug Administration	FDA

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified									HMDB
Human Cerebrospinal fluid (csf)	Detected and Quantified	22.89	3.34			uM	Not Specified	Not Specified	Alzheimer's disease	HMDB	8595727
Human Cerebrospinal fluid (csf)	Detected and Quantified	23.3	3.3			uM	Adult (>18 years old)	Both	Alzheimer's disease	HMDB	8595727
Human Blood	Detected and Quantified	17.0330	11.538			uM	Adult (>18 years old)	Both	Uremia	HMDB	12675874
Human Saliva	Detected and Quantified	<1.00				uM	Adult (>18 years old)	Both	Normal	HMDB	15707277
Human Blood	Detected and Quantified	<2.198				uM	Adult (>18 years old)	Both	Normal	HMDB	12675874
Human Blood	Detected and Quantified	1.09	0.37			uM	Adult (>18 years old)	Both	Normal	HMDB	7710082
Human Cerebrospinal fluid (csf)	Detected and Quantified	13.0		9.49	16.5	uM	Adult (>18 years old)	Both	Normal	HMDB	7710082
Human Cerebrospinal fluid (csf)	Detected and Quantified	15.6	1.9			uM	Adult (>18 years old)	Both	Normal	HMDB	10840171
Human Cerebrospinal fluid (csf)	Detected and Quantified	19.4	5.6			uM	Adult (>18 years old)	Both	Normal	HMDB	8595727
Human Cerebrospinal fluid (csf)	Detected and Quantified	19.43	5.65			uM	Adult (>18 years old)	Not Specified	Normal	HMDB	8595727
Human Urine	Detected and Quantified	3.9		1.9	5.1	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	24023812
Human Urine	Detected and Quantified	9.74	10.36			umol/mmol creatinine	Infant (0-1 year old)	Both	Normal	HMDB	2026685
Human Urine	Detected and Quantified	9.9		2.5	18.7	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	24023812
Human Urine	Detected and Quantified	52.238				umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Eosinophilic esophagitis	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Urine	Detected and Quantified	46.064	38.805			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Blood	Detected and Quantified	13.0		4.0	24.0	uM	Adult (>18 years old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Cerebrospinal fluid (csf)	Detected and Quantified	17.2	4.6			uM	Adult (>18 years old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Urine	Detected and Quantified	3.5	2.24			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Saliva	Detected and Quantified	196.17	346.21			uM	Adult (>18 years old)	Both	Normal	HMDB	https://doi.org/10.1007/s11306-015-0840-5
Human Adipose tissue	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Adrenal medulla	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Bladder	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Erythrocyte	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Eye lens	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Fibroblasts	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Kidney	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Liver	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Neuron	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Placenta	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Platelet	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Prostate	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Retina	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	24023812
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Not Specified	Normal	HMDB	12097436
Human Feces	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	20669995
Human Feces	Detected but not Quantified						Infant (0-1 year old)	Both	Normal	HMDB	22411374
Human Feces	Detected but not Quantified						Children (6 - 18 years old)	Not Specified	Normal	HMDB	27609529
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	27543620
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	25037050
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	29808030
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	28157703
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	32966057
Human Blood	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	32966057

External Links

HMDB ID

HMDB0000247

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

CMMC Knowledgebase

Not Available

General References

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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. doi: 10.1136/jcp.39.7.722. [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. doi: 10.1016/s0026-0495(96)90032-3. [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. doi: 10.1016/j.cccn.2004.11.006. Epub 2005 Jan 18. [PubMed:15748598 ]
Nau R: Osmotherapy for elevated intracranial pressure: a critical reappraisal. Clin Pharmacokinet. 2000 Jan;38(1):23-40. doi: 10.2165/00003088-200038010-00002. [PubMed:10668857 ]
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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. doi: 10.1016/s0009-8981(98)00036-9. [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. doi: 10.1016/0026-0495(86)90194-0. [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. doi: 10.1080/07315724.1994.10718420. [PubMed:7963139 ]
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. doi: 10.1111/j.1464-5491.1989.tb01283.x. [PubMed:2533041 ]
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. doi: 10.1055/s-2007-1003658. [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. doi: 10.1152/ajprenal.1995.268.2.F227. [PubMed:7864160 ]
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. doi: 10.1006/abio.1995.1041. [PubMed:7710082 ]
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. doi: 10.1016/0009-9236(95)90019-5. [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. doi: 10.1016/s0306-4530(00)00012-3. [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. doi: 10.1046/j.1464-4096.2001.01198.x. [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. doi: 10.1016/s0928-0987(00)00148-2. [PubMed:11102741 ]
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 ]
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 ]

Showing metabocard for Sorbitol (MMDBc0000085)

MOL for #<Metabolite:0x000056432399b9e0>

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Structure for #<Metabolite:0x000056432399b9e0>

3D Structure for #<Metabolite:0x000056432399b9e0>