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

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ethyl butanoate

	Properties	Image
MNX_ID	MNXM11527
reference	chebi:88764
formula	C₆H₁₂O₂
global charge	0
mol weight	116.16
InChIKey	OBNCKNCVKJNDBV-UHFFFAOYSA-N
InChI	InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3
SMILES	CCCC(=O)OCC

MNX internals

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

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:88764 chebi:88764 OBNCKNCVKJNDBV-UHFFFAOYSA-N	ethyl butanoate Butanoic acid ethyl ester Butyric acid ethyl ester Ethyl 1-butyrate Ethyl ester of butanoic acid Ethyl n-butanoate Ethyl n-butyrate ethyl butyrate n-Butyric acid ethyl ester
sabiork.compound:25504 sabiorkM:25504 OBNCKNCVKJNDBV-UHFFFAOYSA-N	Ethyl butanoate
hmdb:HMDB0033889 OBNCKNCVKJNDBV-UHFFFAOYSA-N	Ethyl butyrate Butanoate ethyl ester Butanoic acid ethyl ester Butyrate ethyl ester Butyric acid ethyl ester Butyric ester Butyric ether Ethyl 1-butyrate Ethyl 1-butyric acid Ethyl N-butanoate Ethyl N-butanoic acid Ethyl N-butyrate Ethyl N-butyric acid Ethyl butanoate Ethyl butanoic acid Ethyl butyric acid Ethyl ester OF butanoate Ethyl ester OF butanoic acid FEMA 2427 N-Butyrate ethyl ester N-Butyric acid ethyl ester ethyl butanoate ethyl butyrate
lipidmaps:LMFA07010874 lipidmapsM:LMFA07010874 OBNCKNCVKJNDBV-UHFFFAOYSA-N	Ethyl butyrate SFE 6:0 ethyl butanoate
metacyc.compound:CPD-22381 metacycM:CPD-22381 SLM:000597961 slm:000597961 OBNCKNCVKJNDBV-UHFFFAOYSA-N	ethyl butanoate
hmdb:HMDB33889	secondary/obsolete/fantasy identifier