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3-methylpentanoate

Properties

Image

Occurences in reactions

MNX_ID

MNXM36612

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	1

formula

C₆H₁₁O₂

charge

-1

mass

115.07645

reference

InChIKey

IGIDLTISMCAULB-UHFFFAOYSA-M

InChI

InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/p-1

SMILES

CCC(C)CC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:167610 chebi:167610	3-methylpentanoate 3-methylvalerate beta-methylvalerate
hmdb:HMDB0033774	3-Methylpentanoic acid (+/-)-3-methylpentanoate (+/-)-3-methylvaleric acid 2-Methylbutane-1-carboxylic acid 3-Methyl pentanoic acid 3-Methyl valerate 3-Methyl-N-pentanoic acid 3-Methyl-pentanoic acid 3-Methyl-valeric acid 3-Methylpentanoate 3-Methylvalerate 3-Methylvaleric acid 3-methyl valeric acid 3-methylpentanoic acid FEMA 3437 Sec-butylacetic acid beta-Methylvaleric acid
sabiork.compound:23171 sabiorkM:23171	3-Methylvalerate 3-Methylpentanoate
lipidmaps:LMFA01020075 lipidmapsM:LMFA01020075	3-methyl valeric acid 3-methyl-pentanoic acid FA 6:0
metacyc.compound:CPD-20278 metacycM:CPD-20278 seed.compound:cpd33997 seedM:cpd33997	3-methylpentanoate 3-methylpentanoic acid 3-methylvalerate 3-methylvaleric acid
CHEBI:166883 chebi:166883	3-methylvaleric acid 2-methylbutane-1-carboxylic acid 3-ethylbutanoic acid 3-methyl-n-valeric acid 3-methyl-pentanoic acid 3-methylpentanoic acid beta-methylvaleric acid
hmdb:HMDB33774 seedM:M_cpd33997	secondary/obsolete/fantasy identifier