KEGG   COMPOUND: C08262Help
Entry
C08262                      Compound                               

Name
3-Methylbutanoic acid;
Isovaleric acid;
Isovalerate
Formula
C5H10O2
Exact mass
102.0681
Mol weight
102.1317
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01065  Biosynthesis of alkaloids derived from histidine and purine
map01110  Biosynthesis of secondary metabolites
map04974  Protein digestion and absorption
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0102 Branched fatty acids
    C08262  3-Methylbutanoic acid
BRITE hierarchy
Other DBs
CAS: 503-74-2
PubChem: 10461
ChEBI: 28484
ChEMBL: CHEMBL568737
LIPIDMAPS: LMFA01020181
LipidBank: DFA0226
KNApSAcK: C00001189 C00033067
PDB-CCD: IVA[PDBj]
3DMET: B02153
NIKKAJI: J2.605K
LinkDB All DBs
KCF data Show

ATOM        7
            1   C1c C    27.8817  -18.0895
            2   C1b C    26.6700  -18.7919
            3   C1a C    29.0933  -18.7919
            4   C1a C    27.8817  -16.6906
            5   C6a C    25.4583  -18.0895
            6   O6a O    24.2467  -18.7919
            7   O6a O    25.4583  -16.6906
BOND        6
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     5   6 1
            6     5   7 2

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