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

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butyl acetate

	Properties	Image
MNX_ID	MNXM16412
reference	chebi:31328
formula	C₆H₁₂O₂
global charge	0
mol weight	116.16
InChIKey	DKPFZGUDAPQIHT-UHFFFAOYSA-N
InChI	InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
SMILES	CCCCOC(C)=O

MNX internals

InChI (mnx)	InChI=1/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
SMILES (mnx)	[CH3:1][CH2:3][CH2:4][CH2:5][O:8][C:6]([CH3:2])=[O:7]

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:31328 chebi:31328 DKPFZGUDAPQIHT-UHFFFAOYSA-N	butyl acetate 1-acetoxybutane 1-butyl acetate Butyl acetate Butylacetat Butylazetat CH3COO(CH2)3CH3 Essigsaeure-n-butylester Essigsaeurebutylester acetate de butyle acetic acid n-butyl ester acetic acid, butyl ester butyl ester of acetic acid butyl ethanoate n-butyl acetate n-butyl ethanoate
sabiork.compound:14337 sabiorkM:14337 DKPFZGUDAPQIHT-UHFFFAOYSA-N	Butyl acetate
seed.compound:cpd09076 seedM:cpd09076 DKPFZGUDAPQIHT-UHFFFAOYSA-N	Butyl acetate butyl acetate n-Butyl acetate
kegg.compound:C12304 keggC:C12304 DKPFZGUDAPQIHT-UHFFFAOYSA-N	Butyl acetate n-Butyl acetate
metacyc.compound:CPD-13346 metacycM:CPD-13346 DKPFZGUDAPQIHT-UHFFFAOYSA-N	butyl acetate
envipath:...4440d2ebe68f envipathM:...4440d2ebe68f DKPFZGUDAPQIHT-UHFFFAOYSA-N	compound 0215348
hmdb:HMDB0031325 DKPFZGUDAPQIHT-UHFFFAOYSA-N	n-Butyl acetate 1-Acetoxybutane 1-Butanol, acetate 1-Butyl acetate 1-Butyl acetic acid 1-Butylacetate Acetate N-butyl ester Acetate de butyle Acetate, butyl ester Acetic acid N-butyl ester Acetic acid butyl ester Acetic acid de butyle Acetic acid, butyl ester Butyl acetic acid Butyl ester OF acetate Butyl ester OF acetic acid Butyl ethanoate Butyl ethanoic acid Butylacetat Butylazetat CH3COO(CH2)3ch3 Essigsaeure-N-butylester Essigsaeurebutylester N-Butyl acetate N-Butyl acetic acid N-Butyl ethanoate N-Butyl ethanoic acid N-Butylacetate butyl acetate
hmdb:HMDB31325 keggC:M_C12304 seedM:M_cpd09076	secondary/obsolete/fantasy identifier