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

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ethyl hexanoate

	Properties	Image
MNX_ID	MNXM52763
reference	chebi:86055
formula	C₈H₁₆O₂
global charge	0
mol weight	144.214
InChIKey	SHZIWNPUGXLXDT-UHFFFAOYSA-N
InChI	InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3
SMILES	CCCCCC(=O)OCC

MNX internals

InChI (mnx)	InChI=1/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3
SMILES (mnx)	[CH3:1][CH2:3][CH2:5][CH2:6][CH2:7][C:8](=[O:9])[O:10][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:86055 chebi:86055 SHZIWNPUGXLXDT-UHFFFAOYSA-N	ethyl hexanoate Caproic acid ethyl ester Ethyl ester of hexanoic acid Ethyl hexoate Ethyl n-hexanoat ethyl caproate hexanoic acid ethyl ester n-Caproic acid ethyl ester
sabiork.compound:25520 sabiorkM:25520 SHZIWNPUGXLXDT-UHFFFAOYSA-N	Ethyl hexanoate
hmdb:HMDB0040209 SHZIWNPUGXLXDT-UHFFFAOYSA-N	Ethyl hexanoate Acetic acid, butyl-, ethyl ester Caproate ethyl ester Caproic acid ethyl ester Caproic acid ethylester Capronic ether absolute Ethyl N-hexanoat Ethyl N-hexanoate Ethyl butyl acetate Ethyl butyl acetate (dot) Ethyl caproate Ethyl caproic acid Ethyl ester OF hexanoate Ethyl ester OF hexanoic acid Ethyl hexanoate (caproate) Ethyl hexanoic acid Ethyl hexoate Ethyl hexoic acid FEMA 2439 Hexanoate ethyl ester Hexanoic acid ethyl ester Hexanoic acid, ethyl ester Hexanoic acid, ethyl ester, mixt. with soybean oil epoxide N-Caproate ethyl ester N-Caproic acid ethyl ester ethyl hexanoate
lipidmaps:LMFA07010434 lipidmapsM:LMFA07010434 SHZIWNPUGXLXDT-UHFFFAOYSA-N	SFE 2:0/6:0 SFE 8:0 WE(2:0/6:0) ethyl hexanoate
metacyc.compound:CPD-10093 metacycM:CPD-10093 seed.compound:cpd22553 seedM:cpd22553 SHZIWNPUGXLXDT-UHFFFAOYSA-N	ethyl caproate ethyl hexanoate
SLM:000597959 slm:000597959 SHZIWNPUGXLXDT-UHFFFAOYSA-N	ethyl hexanoate
hmdb:HMDB40209 seedM:M_cpd22553	secondary/obsolete/fantasy identifier