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Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2006-05-22 15:12:37 UTC

Update Date

2022-03-07 02:49:17 UTC

HMDB ID

HMDB0003156

Secondary Accession Numbers

HMDB0003692
HMDB03156
HMDB03692

Metabolite Identification

Common Name

2,3-Butanediol

Description

2,3-Butanediol is an isomer of butanediol. The 2R,3R stereoisomer of 2,3-butanediol is produced by a variety of microorganisms, in a process known as butanediol fermentation. 2,3-Butanediol fermentation is the anaerobic fermentation of glucose with 2,3-butanediol as one of the end products. The overall stoichiometry of the reaction is 2 pyruvate + NADH --> 2CO2 + 2,3-butanediol. Butanediol fermentation is typical for Enterobacter species or microbes found in the gut. 2,3-butanediol has been identified in the sera of alcoholics and it may be a specific marker of alcohol abuse (PMID:6139706 ). In humans, 2,3-butanediol is oxidized to acetyl-CoA via acetoin. 2,3-Butanediol is also found in cocoa butter. 2,3-Butanediol can also be found in Bacillus, Klebsiella and Serratia (PMID:21272631 ).

Structure

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

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
2,3-Butylene glycol	ChEBI
2,3-Dihydroxybutane	ChEBI
Dimethylene glycol	ChEBI
Dimethylethylene glycol	ChEBI
Pseudobutylene glycol	ChEBI
Sym-dimethylethylene glycol	ChEBI
2,3-Butylene glycol, (r,r)-isomer	MeSH
2,3-Butylene glycol, (r,r,)-(+-)-isomer	MeSH
2,3-Butylene glycol, (r,s)-isomer	MeSH
2,3-Butylene glycol, (S-(r,r))-isomer	MeSH
2,3-Butylene glycol, R-(r,r)-isomer	MeSH
Butane-2,3-diol	MeSH
2,3-Butandiol	HMDB
2,3-Butanodiol	HMDB
D-2,3-Butane diol	HMDB
2,3-Butanediol	ChEBI

Chemical Formula

C₄H₁₀O₂

Average Molecular Weight

90.121

Monoisotopic Molecular Weight

90.068079564

IUPAC Name

butane-2,3-diol

Traditional Name

2,3-butanediol

CAS Registry Number

513-85-9

SMILES

CC(O)C(C)O

InChI Identifier

InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3

InChI Key

OWBTYPJTUOEWEK-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 1,2-diols. These are polyols containing an alcohol group at two adjacent positions.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Alcohols and polyols

Direct Parent

1,2-diols

Alternative Parents

Substituents

Secondary alcohol
1,2-diol
Hydrocarbon derivative
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

secondary alcohol (CHEBI:62064 )
glycol (CHEBI:62064 )
butanediol (CHEBI:62064 )
a 2,3-butanediol (CPD-346 )

Ontology

Physiological effect

Health effect

Digestive system disorder

Hepatobiliary disorder

Hepatic disorder

Cirrhosis (HMDB: HMDB0003156)

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 3426740)

Cell

Fibroblast

Fibroblast (HMDB: HMDB0003156)

Hematocyte

Platelet (HMDB: HMDB0003156)

Organ substructure

Adrenal cortex (HMDB: HMDB0003156)
Adrenal cortex (HMDB: HMDB0003156)

Tissue

Epithelium

Epidermis (HMDB: HMDB0003156)

Organ

Gland

Thyroid gland (HMDB: HMDB0003156)
Thyroid gland (HMDB: HMDB0003156)

Excreta

Biofluid or Excreta

Feces (PMID: 27275383)
Urine (PMID: 28157703)

Cellular substructure

Cytoplasm (HMDB: HMDB0003156)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0003156)

Source

Endogenous

Endogenous (HMDB: HMDB0003156)

Plant

Plant (HMDB: HMDB0003156)

Microbe

Microbe (HMDB: HMDB0003156)
Klebsiella pneumoniae (HMDB: HMDB0003156)
Enterobacter aerogenes (HMDB: HMDB0003156)
Serratia marcescens (HMDB: HMDB0003156)
Bacillus polymyxa (HMDB: HMDB0003156)
Klebsiella oxytoca (HMDB: HMDB0003156)

Exogenous

Food

Food (HMDB: HMDB0003156)

Animal origin

Poultry

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Coconut (FooDB: FOOD00336)

Cereal and cereal product

Cereal

Corn (FooDB: FOOD00205)

Vegetable

Fruit vegetable

Snack

Tortilla chip (FooDB: FOOD00721)

Exogenous (HMDB: HMDB0003156)

Process

Not Available

Role

Industrial application

Pharmaceutical industry

Biomarker

Cirrhosis (MarkerDB: MDB00000412)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	25 °C	Not Available
Boiling Point	182.00 °C. @ 760.00 mm Hg	The Good Scents Company Information System
Water Solubility	1000 mg/mL at 20 °C	Not Available
LogP	-0.92	HANSCH,C ET AL. (1995)

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	603 g/L	ALOGPS
logP	-0.59	ALOGPS
logP	-0.38	ChemAxon
logS	0.83	ALOGPS
pKa (Strongest Acidic)	14.22	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	40.46 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	23.39 m³·mol⁻¹	ChemAxon
Polarizability	9.87 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	116.997	31661259
DarkChem	[M-H]-	111.816	31661259
DeepCCS	[M+H]+	121.795	30932474
DeepCCS	[M-H]-	119.871	30932474
DeepCCS	[M-2H]-	155.427	30932474
DeepCCS	[M+Na]+	129.998	30932474
AllCCS	[M+H]+	126.3	32859911
AllCCS	[M+H-H2O]+	122.0	32859911
AllCCS	[M+NH4]+	130.4	32859911
AllCCS	[M+Na]+	131.6	32859911
AllCCS	[M-H]-	127.3	32859911
AllCCS	[M+Na-2H]-	132.0	32859911
AllCCS	[M+HCOO]-	137.1	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
2,3-Butanediol	CC(O)C(C)O	1560.6	Standard polar	33892256
2,3-Butanediol	CC(O)C(C)O	748.9	Standard non polar	33892256
2,3-Butanediol	CC(O)C(C)O	776.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
2,3-Butanediol,1TMS,isomer #1	CC(O)C(C)O[Si](C)(C)C	907.9	Semi standard non polar	33892256
2,3-Butanediol,2TMS,isomer #1	CC(O[Si](C)(C)C)C(C)O[Si](C)(C)C	1056.1	Semi standard non polar	33892256
2,3-Butanediol,1TBDMS,isomer #1	CC(O)C(C)O[Si](C)(C)C(C)(C)C	1121.5	Semi standard non polar	33892256
2,3-Butanediol,2TBDMS,isomer #1	CC(O[Si](C)(C)C(C)(C)C)C(C)O[Si](C)(C)C(C)(C)C	1462.6	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - 2,3-Butanediol EI-B (Non-derivatized)	splash10-0002-9000000000-e110e7ce89cc64b78ca2	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - 2,3-Butanediol EI-B (Non-derivatized)	splash10-0002-9000000000-39d2dfc0a50d8ba018c7	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - 2,3-Butanediol EI-B (Non-derivatized)	splash10-0002-9000000000-e110e7ce89cc64b78ca2	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - 2,3-Butanediol EI-B (Non-derivatized)	splash10-0002-9000000000-39d2dfc0a50d8ba018c7	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2,3-Butanediol GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9000000000-cc27e53ef044f7cb15a5	2016-09-22	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2,3-Butanediol GC-MS (2 TMS) - 70eV, Positive	splash10-01b9-9520000000-fa7488838e20f2dd123b	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2,3-Butanediol GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2,3-Butanediol GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2,3-Butanediol GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2,3-Butanediol GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2,3-Butanediol GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2,3-Butanediol GC-MS (TBDMS_2_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2,3-Butanediol Quattro_QQQ 10V, Positive-QTOF (Annotated)	splash10-0006-9000000000-a38d022475e970ac03d7	2012-07-25	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2,3-Butanediol Quattro_QQQ 25V, Positive-QTOF (Annotated)	splash10-03dl-9000000000-c09bcb32a4424164b2b1	2012-07-25	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2,3-Butanediol Quattro_QQQ 40V, Positive-QTOF (Annotated)	splash10-01p9-9000000000-7e0b3df968981c428a95	2012-07-25	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2,3-Butanediol EI-B (HITACHI M-80B) , Positive-QTOF	splash10-0002-9000000000-f6fb3d0277c373b5e557	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2,3-Butanediol EI-B (HITACHI M-80A) , Positive-QTOF	splash10-0002-9000000000-94dd097f8cd58f7a22e5	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2,3-Butanediol 35V, Positive-QTOF	splash10-0006-9000000000-973d129e78b29fbf8804	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2,3-Butanediol 10V, Positive-QTOF	splash10-0006-9000000000-373d8ab05d8ca30b9936	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2,3-Butanediol 20V, Positive-QTOF	splash10-006x-9000000000-c995422d63c292e20b8f	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2,3-Butanediol 40V, Positive-QTOF	splash10-0a4i-9000000000-5639537d59074e5a4a6c	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2,3-Butanediol 10V, Negative-QTOF	splash10-000i-9000000000-aa5e86f920a11ea2d749	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2,3-Butanediol 20V, Negative-QTOF	splash10-000i-9000000000-cef0995334342db934ba	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2,3-Butanediol 40V, Negative-QTOF	splash10-00di-9000000000-c4f65aef56394c6d3a25	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2,3-Butanediol 10V, Negative-QTOF	splash10-000i-9000000000-09fc38b483234e7b66aa	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2,3-Butanediol 20V, Negative-QTOF	splash10-000f-9000000000-79fde7f9417c0129ac4c	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2,3-Butanediol 40V, Negative-QTOF	splash10-0006-9000000000-452a5f79625d3401d495	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2,3-Butanediol 10V, Positive-QTOF	splash10-0a4i-9000000000-2e058d12c0f9880bd53d	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2,3-Butanediol 20V, Positive-QTOF	splash10-0a4i-9000000000-77a30103f1d168eecd21	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2,3-Butanediol 40V, Positive-QTOF	splash10-0002-9000000000-4c2f1d8ca7aa89a88c6c	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Experimental 1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)	2012-12-05	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Experimental 2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)	2012-12-05	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm (predicted from logP)

Biospecimen Locations

Blood
Feces
Urine

Tissue Locations

Adrenal Cortex
Epidermis
Fibroblasts
Intestine
Neuron
Platelet
Spleen
Testis
Thyroid Gland

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	13.8 +/- 7.5 uM	Adult (>18 years old)	Both	Normal	Geigy Scientific ...	details
Blood	Detected and Quantified	2.0 (0.0-5.0) uM	Adult (>18 years old)	Both	Normal	3426740	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	100.0 (5.0-211.0) uM	Adult (>18 years old)	Both	Cirrhosis	3426740	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Colorectal Cancer	27275383	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Bladder cancer	28157703	details

Associated Disorders and Diseases

Disease References

Cirrhosis
Casazza JP, Frietas J, Stambuk D, Morgan MY, Veech RL: The measurement of 1,2-propanediol, D, L-2,3-butanediol and meso-2,3-butanediol in controls and alcoholic cirrhotics. Alcohol Alcohol Suppl. 1987;1:607-9. [PubMed:3426740 ]
Colorectal cancer
Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016. [PubMed:27275383 ]

Associated OMIM IDs

114500 (Colorectal cancer)

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB011934

KNApSAcK ID

C00050411

Chemspider ID

21106093

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

2,3-Butanediol

METLIN ID

Not Available

PubChem Compound

262

PDB ID

Not Available

ChEBI ID

62064

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

MDB00000412

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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Cooper CA, Bury NR, Grosell M: The effects of pH and the iron redox state on iron uptake in the intestine of a marine teleost fish, gulf toadfish (Opsanus beta). Comp Biochem Physiol A Mol Integr Physiol. 2006 Mar;143(3):292-8. Epub 2006 Jan 20. [PubMed:16431145 ]
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Enzymes

Enzyme Details

1. Vitamin K epoxide reductase complex subunit 1

General function:: Involved in vitamin-K-epoxide reductase (warfarin-sensi
Specific function:: Involved in vitamin K metabolism. Catalytic subunit of the vitamin K epoxide reductase (VKOR) complex which reduces inactive vitamin K 2,3-epoxide to active vitamin K.
Gene Name:: VKORC1
Uniprot ID:: Q9BQB6
Molecular weight:: 18234.3

Showing metabocard for 2,3-Butanediol (HMDB0003156)

MOL for HMDB0003156 (2,3-Butanediol)

3D MOL for HMDB0003156 (2,3-Butanediol)

3D SDF for HMDB0003156 (2,3-Butanediol)

3D-SDF for HMDB0003156 (2,3-Butanediol)

PDB for HMDB0003156 (2,3-Butanediol)

3D PDB for HMDB0003156 (2,3-Butanediol)

SMILES for HMDB0003156 (2,3-Butanediol)

INCHI for HMDB0003156 (2,3-Butanediol)

Structure for HMDB0003156 (2,3-Butanediol)

3D Structure for HMDB0003156 (2,3-Butanediol)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes