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4-methylpentanoate

Properties

Image

Occurences in reactions

MNX_ID

MNXM57849

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	2

formula

C₆H₁₁O₂

charge

-1

mass

115.07645

reference

chebi:74904

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-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:74904 chebi:74904	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	4-Methylvalerate
metacyc.compound:CPD-17493 metacycM:CPD-17493	4-methylpentanoate 4,4-dimethylbutanoate 4-methyl-N-valerate 4-methylvalerate isobutylacetate isocaproate isohexanoate isohexoate
seed.compound:cpd34958 seedM:cpd34958	4-methylpentanoate isocaproate
kegg.compound:C21399 keggC:C21399	Isocaproate 4-Methylpentanoate
hmdb:HMDB0000689	Isocaproic acid 4,4-Dimethylbutanoate 4,4-Dimethylbutanoic acid 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	Isocaproic acid 4-methyl-pentanoic acid FA 6:0 Isohexanoic acid
envipath:...9d83a2781d08 envipathM:...9d83a2781d08	compound 0216080
CHEBI:74903 chebi:74903	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	secondary/obsolete/fantasy identifier