MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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butane-2,3-diol

	Properties	Image
MNX_ID	MNXM44972
reference	chebi:62064
formula	C₄H₁₀O₂
global charge	0
mol weight	90.122
InChIKey	OWBTYPJTUOEWEK-UHFFFAOYSA-N
InChI	InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3
SMILES	CC(O)C(C)O

MNX internals

InChI (mnx)	InChI=1/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3?,4?
SMILES (mnx)	[CH3:1][CH:3]([CH:4]([CH3:2])[OH:6])[OH:5]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:62064 chebi:62064 OWBTYPJTUOEWEK-UHFFFAOYSA-N	butane-2,3-diol 2,3-Butanediol 2,3-Butylene glycol 2,3-Dihydroxybutane Dimethylene glycol Dimethylethylene glycol Pseudobutylene glycol Sym-dimethylethylene glycol
vmhM:btd_SS vmhmetabolite:btd_SS OWBTYPJTUOEWEK-UHFFFAOYSA-N	(S,S)-2,3-Butanediol
sabiork.compound:23416 sabiorkM:23416 OWBTYPJTUOEWEK-UHFFFAOYSA-N	2,3-Butanediol
hmdb:HMDB0003156 OWBTYPJTUOEWEK-UHFFFAOYSA-N	2,3-Butanediol 2,3-Butandiol 2,3-Butanodiol 2,3-Butylene glycol 2,3-Butylene glycol, (S-(r,r))-isomer 2,3-Butylene glycol, (r,r)-isomer 2,3-Butylene glycol, (r,r,)-(+-)-isomer 2,3-Butylene glycol, (r,s)-isomer 2,3-Butylene glycol, R-(r,r)-isomer 2,3-Dihydroxybutane 2,3-butanediol Butane-2,3-diol D-2,3-Butane diol Dimethylene glycol Dimethylethylene glycol Pseudobutylene glycol Sym-dimethylethylene glycol butane-2,3-diol
metacyc.compound:2-3-Butanediols metacycM:2-3-Butanediols OWBTYPJTUOEWEK-UHFFFAOYSA-N	a 2,3-butanediol a 2,3-butylene glycol a butane-2,3-diol
envipath:...e102ad2300e5 envipathM:...e102ad2300e5 OWBTYPJTUOEWEK-UHFFFAOYSA-N	compound 0282818
hmdb:HMDB0003692 hmdb:HMDB03156 hmdb:HMDB03692 vmhM:M_btd_SS	secondary/obsolete/fantasy identifier