KEGG   COMPOUND: C01571
Entry
C01571                      Compound                               
Name
Decanoic acid;
Decanoate;
Decylic acid;
n-Capric acid
Formula
C10H20O2
Exact mass
172.1463
Mol weight
172.2646
Structure
Reaction
Pathway
map00061  Fatty acid biosynthesis
map01100  Metabolic pathways
Enzyme
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Fatty acids
   Saturated fatty acids
    C01571  Capric acid (10:0)
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0101 Straight chain fatty acids
    C01571  Decanoic acid
Phytochemical compounds [BR:br08003]
 Fatty acids related compounds
  Fatty acids
   Saturated fatty acids
    C01571  Capric acid
Other DBs
CAS: 334-48-5
PubChem: 4728
ChEBI: 27689 30813
LIPIDMAPS: LMFA01010010
KNApSAcK: C00001213
PDB-CCD: DKA[PDBj]
3DMET: B01466
NIKKAJI: J2.575E
KCF data

ATOM        12
            1   C1b C    24.4629  -16.8479
            2   C1b C    25.6735  -16.1461
            3   C1b C    23.2524  -16.1461
            4   C1b C    26.8899  -16.8479
            5   C1b C    22.0361  -16.8479
            6   C1b C    28.0945  -16.1461
            7   C6a C    20.8256  -16.1461
            8   C1b C    29.3110  -16.8479
            9   O6a O    19.6151  -16.8479
            10  O6a O    20.8256  -14.7484
            11  C1b C    30.5215  -16.1461
            12  C1a C    31.7318  -16.8479
BOND        11
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     5   7 1
            7     6   8 1
            8     7   9 1
            9     7  10 2
            10    8  11 1
            11   11  12 1

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