KEGG   COMPOUND: C00803Help
Entry
C00803                      Compound                               

Name
Pentanoate;
Valerate;
Pentanoic acid;
Valeric acid;
Valerianic acid;
n-Pentanoate;
n-Valeric acid
Formula
C5H10O2
Exact mass
102.0681
Mol weight
102.1317
Structure
Mol fileKCF fileDB search
Reaction
Enzyme
Brite
Compounds with biological roles [BR:br08001]
 Organic acids
  Carboxylic acids
   Monocarboxylic acids
    C00803  Valerate; Pentanoate
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0101 Straight chain fatty acids
    C00803  Pentanoic acid
BRITE hierarchy
Other DBs
CAS: 109-52-4
PubChem: 4061
ChEBI: 17418
ChEMBL: CHEMBL268736
LIPIDMAPS: LMFA01010005
LipidBank: DFA0005
KNApSAcK: C00001208
PDB-CCD: LEA[PDBj]
3DMET: B00177
NIKKAJI: J1.504K
KCF data Show

ATOM        7
            1   C1b C    25.0591  -16.8425
            2   C6a C    23.8543  -16.1406
            3   C1b C    26.2755  -16.1406
            4   O6a O    22.6377  -16.8425
            5   O6a O    23.8543  -14.7427
            6   C1b C    27.4921  -16.8425
            7   C1a C    28.6969  -16.1406
BOND        6
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 2
            5     3   6 1
            6     6   7 1

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