KEGG   COMPOUND: C02367
Entry
C02367                      Compound                               
Name
3-Oxododecanoic acid;
3-Oxododecanoate
Formula
C12H22O3
Exact mass
214.1569
Mol weight
214.3013
Structure
Reaction
R03747
Enzyme
4.1.1.56
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0106 Oxo fatty acids
    C02367  3-Oxododecanoic acid
Other DBs
PubChem: 5411
ChEBI: 18037 29743
LIPIDMAPS: LMFA01060091
PDB-CCD: 3LA[PDBj]
3DMET: B00431
NIKKAJI: J206.129E
LinkDB
KCF data

ATOM        15
            1   C5a C    22.0325  -15.1184
            2   C1b C    20.8161  -15.8199
            3   C1b C    23.2422  -15.8199
            4   O5a O    22.0325  -13.7921
            5   C1b C    19.6062  -15.1184
            6   C6a C    24.4520  -15.1184
            7   C1b C    18.3965  -15.8199
            8   O6a O    25.6619  -15.8262
            9   O6a O    24.4520  -13.7921
            10  C1b C    17.1801  -15.1184
            11  C1b C    15.9705  -15.8199
            12  C1b C    14.7606  -15.1184
            13  C1b C    13.5444  -15.8199
            14  C1b C    12.3345  -15.1184
            15  C1a C    11.1183  -15.8199
BOND        14
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 1
            6     5   7 1
            7     6   8 1
            8     6   9 2
            9     7  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1

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