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3-methyl-2-oxopentanoate

PropertiesImage
MNX_IDMNXM1363844 Image of MNXM1363844
referencechebi:28654
formulaC6H9O3
global charge-1
mol weight129.135
InChIKeyJVQYSWDUAOAHFM-UHFFFAOYSA-M
InChIInChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/p-1
SMILESCCC(C)C(=O)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/t4? Image of MNXM1363844
SMILES (mnx)[CH3:1][CH2:3][CH:4]([CH3:2])[C:5]([C:6]([OH:8])=[O:9])=[O:7]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)24
in models (compartimentalized) 17
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-113576
reactomeM:R-ALL-113576
reactome:R-ALL-70721
reactomeM:R-ALL-70721
CHEBI:28654
chebi:28654
JVQYSWDUAOAHFM-UHFFFAOYSA-M
3-methyl-2-oxopentanoate
2-Oxo-3-methylpentanoate
2-Oxo-3-methylvalerate
2-keto-3-methylvalerate
3-Methyl-2-oxopentanoate
3-Methyl-2-oxovalerate
3-methyl-2-oxovalerate
alpha-keto-beta-methylvalerate
alpha-oxo-beta-methylvalerate

bigg.metabolite:3mop
biggM:3mop
JVQYSWDUAOAHFM-UHFFFAOYSA-M
(S)-3-Methyl-2-oxopentanoate

sabiork.compound:6645
sabiorkM:6645
JVQYSWDUAOAHFM-UHFFFAOYSA-M
3-Methyl-2-oxopentanoate
2-Ketoisoleucine
2-Oxo-3-methylpentanoate
2-Oxo-3-methylvalerate
2-Oxoisoleucine
alpha-Keto-beta-methyl-valerate

seed.compound:cpd19026
seedM:cpd19026
kegg.compound:C03465
keggC:C03465
JVQYSWDUAOAHFM-UHFFFAOYSA-M
JVQYSWDUAOAHFM-UHFFFAOYSA-N
3-Methyl-2-oxopentanoate
2-Oxo-3-methylvalerate

metacyc.compound:CPD-21103
metacycM:CPD-21103
JVQYSWDUAOAHFM-UHFFFAOYSA-M
3-methyl-2-oxopentanoate

CHEBI:35932
chebi:35932
JVQYSWDUAOAHFM-UHFFFAOYSA-N
3-methyl-2-oxovaleric acid
2-Oxo-3-methyl-n-valeric acid
2-Oxo-3-methylpentanoic acid
2-Oxo-3-methylvalerate
2-Oxo-3-methylvaleric acid
2-Oxoisoleucine
2-oxokolavenic acid
3-Methyl-2-oxopentanoic acid
3-ethyl-3-methylpyruvic acid
3-methyl-2-oxopentanoic acid
alpha-Oxo-beta-methylvaleric acid
alpha-keto-beta-methyl-n-valeric acid
alpha-keto-beta-methylvaleric acid
alpha-oxo-beta-methyl-n-valeric acid
alpha-oxo-beta-methylvaleric acid
ketoisoleucine

envipath:...437b538db430
envipathM:...437b538db430
JVQYSWDUAOAHFM-UHFFFAOYSA-M
compound 0281234

chebi:1585
chebi:20116
biggM:M_3mop
keggC:M_C03465
seedM:M_cpd19026
secondary/obsolete/fantasy identifier