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3-methylpentanoate

PropertiesImage
MNX_IDMNXM36612 Image of MNXM36612
referencechebi:167610
formulaC6H11O2
global charge-1
mol weight115.152
InChIKeyIGIDLTISMCAULB-UHFFFAOYSA-M
InChIInChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/p-1
SMILESCCC(C)CC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/t5? Image of MNXM36612
SMILES (mnx)[CH3:1][CH2:3][CH:5]([CH3:2])[CH2:4][C:6](=[O:7])[OH:8]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:167610
chebi:167610
IGIDLTISMCAULB-UHFFFAOYSA-M
3-methylpentanoate
3-methylvalerate
beta-methylvalerate
hmdb:HMDB0033774
IGIDLTISMCAULB-UHFFFAOYSA-N
3-Methylpentanoic acid
(+/-)-3-methylpentanoate
(+/-)-3-methylvaleric acid
2-Methylbutane-1-carboxylate
2-Methylbutane-1-carboxylic acid
3-Ethylbutanoate
3-Ethylbutanoic acid
3-Methyl pentanoic acid
3-Methyl valerate
3-Methyl-N-pentanoic acid
3-Methyl-N-valerate
3-Methyl-N-valeric acid
3-Methyl-pentanoate
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
b-Methylvalerate
b-Methylvaleric acid
beta-Methylvalerate
beta-Methylvaleric acid
beta-methylvalerate
beta-methylvaleric acid

sabiork.compound:23171
sabiorkM:23171
IGIDLTISMCAULB-UHFFFAOYSA-M
3-Methylvalerate
3-Methylpentanoate

lipidmaps:LMFA01020075
lipidmapsM:LMFA01020075
IGIDLTISMCAULB-UHFFFAOYSA-N
3-methyl valeric acid
3-methyl-pentanoic acid
FA 6:0

metacyc.compound:CPD-20278
metacycM:CPD-20278
seed.compound:cpd33997
seedM:cpd33997
IGIDLTISMCAULB-UHFFFAOYSA-M
3-methylpentanoate
3-methylpentanoic acid
3-methylvalerate
3-methylvaleric acid

CHEBI:166883
chebi:166883
IGIDLTISMCAULB-UHFFFAOYSA-N
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