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

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Ethyl 3-methylpentanoate

	Properties	Image
MNX_ID	MNXM125466
reference	chebi:179931
formula	C₈H₁₆O₂
global charge	0
mol weight	144.214
InChIKey	TXAWGHYFBQBVNK-UHFFFAOYSA-N
InChI	InChI=1S/C8H16O2/c1-4-7(3)6-8(9)10-5-2/h7H,4-6H2,1-3H3
SMILES	CCOC(=O)CC(C)CC

MNX internals

InChI (mnx)	InChI=1/C8H16O2/c1-4-7(3)6-8(9)10-5-2/h7H,4-6H2,1-3H3/t7?
SMILES (mnx)	[CH3:1][CH2:4][CH:7]([CH3:3])[CH2:6][C:8](=[O:9])[O:10][CH2:5][CH3:2]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:179931 chebi:179931 TXAWGHYFBQBVNK-UHFFFAOYSA-N	Ethyl 3-methylpentanoate ethyl 3-methylpentanoate
hmdb:HMDB0034234 TXAWGHYFBQBVNK-UHFFFAOYSA-N	Ethyl (+/-)-3-methylpentanoate 3-Methylpentanoic acid, ethyl ester Ethyl (+/-)-3-methylpentanoic acid Ethyl 3-methylpentanoate Ethyl 3-methylpentanoic acid Ethyl 3-methylvalerate Ethyl beta -methylvalerate Ethyl beta-methylvalerate FEMA 3679 Pentanoic acid, 3-methyl-, ethyl ester Valeric acid, 3-methyl-, ethyl ester ethyl 3-methylpentanoate
lipidmaps:LMFA07010864 lipidmapsM:LMFA07010864 TXAWGHYFBQBVNK-UHFFFAOYSA-N	Ethyl 3-methylpentanoate SFE 8:0 ethyl 3-methylpentanoate
hmdb:HMDB34234	secondary/obsolete/fantasy identifier