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

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(R,S)-butane-2,3-diol

	Properties	Image
MNX_ID	MNXM9502
reference	chebi:75460
formula	C₄H₁₀O₂
global charge	0
mol weight	90.122
InChIKey	OWBTYPJTUOEWEK-ZXZARUISSA-N
InChI	InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4+
SMILES	C[C@H](O)[C@@H](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][C@@H:3]([C@@H:4]([CH3:2])[OH:6])[OH:5]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:75460 chebi:75460 OWBTYPJTUOEWEK-ZXZARUISSA-N	(R,S)-butane-2,3-diol (2R,3S)-butane-2,3-diol (2RS,3SR)-2,3-butanediol (2RS,3SR)-butane-2,3-diol (2S,3R)-2,3-butananediol (2S,3R)-butanane-2,3-diol (R,S)-2,3-butanediol (R,S)-butane-2,3-diol (R,S)-2,3-butanediol (R,S)-butylene glycol NSC 2164 UNII-F5IA8X9O8M erythro-2,3-butanediol erythro-butane-2,3-diol meso-2,3-butanediol meso-2,3-dihydroxybutane meso-butane-2,3-diol meso-butanediol meso-butylene glycol meso-dimethyl ethyleneglycol
seed.compound:cpd23187 seedM:cpd23187 OWBTYPJTUOEWEK-ZXZARUISSA-N	(R,S)-2,3-butanediol (R,S)-2,3-butylene glycol (R,S)-butane-2,3-diol meso-2,3-Butanediol meso-2,3-butanediol meso-2,3-butylene glycol meso-butanediol
metacyc.compound:CPD-12004 metacycM:CPD-12004 OWBTYPJTUOEWEK-ZXZARUISSA-N	(R,S)-2,3-butanediol (R,S)-2,3-butylene glycol (R,S)-butane-2,3-diol meso-2,3-butanediol meso-2,3-butylene glycol meso-butanediol
sabiork.compound:31142 sabiorkM:31142 OWBTYPJTUOEWEK-ZXZARUISSA-N	erythro-2,3-Butanediol (2R,3S)-Butane-2,3-diol meso-2,3-Butanediol meso-Butane-2,3-diol
kegg.compound:C20657 keggC:C20657 OWBTYPJTUOEWEK-ZXZARUISSA-N	meso-2,3-Butanediol
keggC:M_C20657 seedM:M_cpd23187	secondary/obsolete/fantasy identifier