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

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Ethyl pentanoate

	Properties	Image
MNX_ID	MNXM125539
reference	chebi:89771
formula	C₇H₁₄O₂
global charge	0
mol weight	130.187
InChIKey	ICMAFTSLXCXHRK-UHFFFAOYSA-N
InChI	InChI=1S/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3
SMILES	CCCCC(=O)OCC

MNX internals

InChI (mnx)	InChI=1/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3
SMILES (mnx)	[CH3:1][CH2:3][CH2:5][CH2:6][C:7](=[O:8])[O:9][CH2:4][CH3:2]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:89771 chebi:89771 ICMAFTSLXCXHRK-UHFFFAOYSA-N	Ethyl pentanoate Ethyl N-valerate Ethyl valerate Ethyl valerianate FEMA 2462 N-Valeric acid ethyl ester Pentanoic acid, ethyl ester Valeric acid, ethyl ester Valeric acid, ethyl ester (8CI) ethyl pentanoate
hmdb:HMDB0040297 ICMAFTSLXCXHRK-UHFFFAOYSA-N	Ethyl pentanoate Ethyl N-valerate Ethyl pentanoic acid Ethyl valerate Ethyl valerianate FEMA 2462 N-Valeric acid ethyl ester Pentanoic acid, ethyl ester Valeric acid, ethyl ester Valeric acid, ethyl ester (8ci) ethyl pentanoate ethyl valerate
sabiork.compound:25510 sabiorkM:25510 ICMAFTSLXCXHRK-UHFFFAOYSA-N	Ethyl pentanoate Ethyl valerate
lipidmaps:LMFA07010881 lipidmapsM:LMFA07010881 ICMAFTSLXCXHRK-UHFFFAOYSA-N	Ethyl pentanoate SFE 7:0 ethyl pentanoate
hmdb:HMDB40297	secondary/obsolete/fantasy identifier