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

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Ethyl 2-methylpentanoate

	Properties	Image
MNX_ID	MNXM125464
reference	chebi:179947
formula	C₈H₁₆O₂
global charge	0
mol weight	144.214
InChIKey	HZPKNSYIDSNZKW-UHFFFAOYSA-N
InChI	InChI=1S/C8H16O2/c1-4-6-7(3)8(9)10-5-2/h7H,4-6H2,1-3H3
SMILES	CCCC(C)C(=O)OCC

MNX internals

InChI (mnx)	InChI=1/C8H16O2/c1-4-6-7(3)8(9)10-5-2/h7H,4-6H2,1-3H3/t7?
SMILES (mnx)	[CH3:1][CH2:4][CH2:6][CH:7]([CH3:3])[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:179947 chebi:179947 HZPKNSYIDSNZKW-UHFFFAOYSA-N	Ethyl 2-methylpentanoate ethyl 2-methylpentanoate
hmdb:HMDB0031579 HZPKNSYIDSNZKW-UHFFFAOYSA-N	Ethyl (+/-)-2-methylpentanoate Ethyl (+/-)-2-methylpentanoic acid Ethyl 2-methylpentanoate Ethyl 2-methylpentanoic acid Ethyl 2-methylvalerate Ethyl alpha-methylvalerate FEMA 3488 Manzanate Pentanoic acid, 2-methyl-, ethyl ester ethyl 2-methylpentanoate manzanate
lipidmaps:LMFA07010860 lipidmapsM:LMFA07010860 HZPKNSYIDSNZKW-UHFFFAOYSA-N	Ethyl 2-methylpentanoate SFE 8:0 ethyl 2-methylpentanoate
hmdb:HMDB31579	secondary/obsolete/fantasy identifier