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

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methyl acetate

	Properties	Image
MNX_ID	MNXM61829
reference	chebi:77700
formula	C₃H₆O₂
global charge	0
mol weight	74.079
InChIKey	KXKVLQRXCPHEJC-UHFFFAOYSA-N
InChI	InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3
SMILES	COC(C)=O

MNX internals

InChI (mnx)	InChI=1/C3H6O2/c1-3(4)5-2/h1-2H3
SMILES (mnx)	[CH3:1][C:3](=[O:4])[O:5][CH3:2]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77700 chebi:77700 KXKVLQRXCPHEJC-UHFFFAOYSA-N	methyl acetate AcOMe CH3CO2CH3 CH3COOCH3 Devoton MeOAc Methylacetat Tereton acetate de methyle acetic acid methyl ester methyl ethanoate
seed.compound:cpd17655 seedM:cpd17655 KXKVLQRXCPHEJC-UHFFFAOYSA-N	Devoton Methyl acetate Tereton methyl acetate methylacetate
hmdb:HMDB0031523 KXKVLQRXCPHEJC-UHFFFAOYSA-N	Methyl acetate AcOMe Acetate de methyle Acetate methyl ester Acetic acid de methyle Acetic acid methyl ester Acetic acid, methyl ester Acetic acid,methyl ester CH3CO2CH3 CH3COOCH3 Devoton Ethyl ester OF monoacetic acid FEMA 2676 HSDB 95 METHYL acetATE, 97% MeOAc Methyl acetic acid Methyl acetic ester Methyl ester OF acetic acid Methyl ethanoate Methyl ethanoic acid Methyl-acetate Methylacetaat Methylacetat Methyle (acetate de) Methylester kiseliny octove Metile Metile (acetato di) Octan metylu Tereton methyl acetate
kegg.compound:C17530 keggC:C17530 KXKVLQRXCPHEJC-UHFFFAOYSA-N	Methyl acetate Devoton Tereton
envipath:...27c88aba6380 envipathM:...27c88aba6380 KXKVLQRXCPHEJC-UHFFFAOYSA-N	compound 0050414
metacyc.compound:METHYL-ACETATE metacycM:METHYL-ACETATE KXKVLQRXCPHEJC-UHFFFAOYSA-N	methyl acetate
hmdb:HMDB31523 keggC:M_C17530 seedM:M_cpd17655	secondary/obsolete/fantasy identifier