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

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4-methylpentanoate

	Properties	Image
MNX_ID	MNXM57849
reference	chebi:74904
formula	C₆H₁₁O₂
global charge	-1
mol weight	115.152
InChIKey	FGKJLKRYENPLQH-UHFFFAOYSA-M
InChI	InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/p-1
SMILES	CC(C)CCC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
SMILES (mnx)	[CH3:1][CH:5]([CH3:2])[CH2:3][CH2:4][C:6](=[O:7])[OH:8]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:74904 chebi:74904 FGKJLKRYENPLQH-UHFFFAOYSA-M	4-methylpentanoate 4,4-Dimethylbutanoate 4-Methyl-N-valerate 4-Methyl-Valerate 4-Methyl-pentanoate 4-Methylvalerate Isobutylacetate Isohexanoate Isohexoate isocaproate
sabiork.compound:23173 sabiorkM:23173 FGKJLKRYENPLQH-UHFFFAOYSA-N	4-Methylvalerate
SLM:000598005 slm:000598005 FGKJLKRYENPLQH-UHFFFAOYSA-M	4-methylpentanoate
metacyc.compound:CPD-17493 metacycM:CPD-17493 FGKJLKRYENPLQH-UHFFFAOYSA-M	4-methylpentanoate 4,4-dimethylbutanoate 4-methyl-N-valerate 4-methylvalerate isobutylacetate isocaproate isohexanoate isohexoate
seed.compound:cpd34958 seedM:cpd34958 FGKJLKRYENPLQH-UHFFFAOYSA-M	4-methylpentanoate isocaproate
kegg.compound:C21399 keggC:C21399 FGKJLKRYENPLQH-UHFFFAOYSA-N	Isocaproate 4-Methylpentanoate
vmhM:isocapr vmhmetabolite:isocapr FGKJLKRYENPLQH-UHFFFAOYSA-M	Isocaproate 4-methylpentanoic acid
hmdb:HMDB0000689 FGKJLKRYENPLQH-UHFFFAOYSA-N	Isocaproic acid 4,4-Dimethylbutanoate 4,4-Dimethylbutanoic acid 4-Methyl valerate 4-Methyl-N-valerate 4-Methyl-N-valeric acid 4-Methyl-pentanoate 4-Methyl-pentanoic acid 4-Methyl-valerate 4-Methyl-valeric acid 4-Methylpentanoate 4-Methylpentanoic acid 4-Methylvalerate 4-Methylvaleric acid 4-methylpentanoic acid Isobutylacetate Isobutylacetic acid Isocaproate Isocaproic acid, sodium salt Isohexanoate Isohexanoic acid Isohexoate Isohexoic acid isocaproate
lipidmaps:LMFA01020076 lipidmapsM:LMFA01020076 FGKJLKRYENPLQH-UHFFFAOYSA-N	Isocaproic acid 4-methyl-pentanoic acid FA 6:0 Isohexanoic acid
envipath:...9d83a2781d08 envipathM:...9d83a2781d08 FGKJLKRYENPLQH-UHFFFAOYSA-M	compound 0216080
CHEBI:74903 chebi:74903 FGKJLKRYENPLQH-UHFFFAOYSA-N	isocaproic acid 4,4-Dimethylbutanoic acid 4-Methyl-N-valeric acid 4-Methyl-Valeric acid 4-Methyl-pentanoic acid 4-Methylvaleric acid 4-methylpentanoic acid Isobutylacetic acid Isocaproic acid Isohexanoic acid Isohexoic acid
hmdb:HMDB00689 chebi:40106 keggC:M_C21399 seedM:M_cpd34958 vmhM:M_isocapr	secondary/obsolete/fantasy identifier