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

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butyl acetate

Properties

Image

Occurences in reactions

MNX_ID

MNXM16412

Image of MNXM16412

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

formula

C₆H₁₂O₂

charge

0

mass

116.08373

reference

InChIKey

DKPFZGUDAPQIHT-UHFFFAOYSA-N

InChI

InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3

SMILES

CCCCOC(C)=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:31328 chebi:31328	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	Butyl acetate
seed.compound:cpd09076 seedM:cpd09076	Butyl acetate butyl acetate n-Butyl acetate
kegg.compound:C12304 keggC:C12304	Butyl acetate n-Butyl acetate
metacyc.compound:CPD-13346 metacycM:CPD-13346	butyl acetate
envipath:...4440d2ebe68f envipathM:...4440d2ebe68f	compound 0215348
hmdb:HMDB0031325	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