KEGG   COMPOUND: C06087Help
Entry
C06087                      Compound                               

Name
Abietate;
Abietic acid;
Abieta-7,13-dien-18-oate
Formula
C20H30O2
Exact mass
302.2246
Mol weight
302.451
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00904  Diterpenoid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
1.2.1.74        1.14.14.145
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0104 C20 isoprenoids (diterpenes)
    PR010405 Abietane diterpenoids
     C06087  Abietic acid
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Abietanes
    C06087  Abietate
Major components of natural products [BR:br08323]
 Crude drugs
  Rosin
   C06087  Abietate
BRITE hierarchy
Other DBs
CAS: 514-10-3
PubChem: 8353
ChEBI: 28987
ChEMBL: CHEMBL71893
LIPIDMAPS: LMPR0104050001
KNApSAcK: C00000871
PDB-CCD: A9H[PDBj]
3DMET: B01968
NIKKAJI: J10.135D
KCF data Show

ATOM        22
            1   C1y C    25.1196  -21.8846
            2   C1z C    25.1260  -20.4809
            3   C1z C    23.9091  -22.5864
            4   C1x C    26.3365  -22.5929
            5   C1y C    26.3494  -19.7792
            6   C1x C    23.9091  -19.7726
            7   C1a C    25.1131  -19.0710
            8   C1x C    22.6858  -21.8846
            9   C6a C    23.1469  -23.7728
            10  C1a C    24.6068  -24.0786
            11  C2x C    27.5534  -21.8976
            12  C2y C    27.5599  -20.4938
            13  C1x C    26.2922  -18.3627
            14  C1x C    22.6858  -20.4809
            15  O6a O    23.7982  -25.0095
            16  O6a O    21.7423  -23.7194
            17  C2x C    28.7897  -19.7921
            18  C1x C    27.5855  -17.6672
            19  C2y C    28.8025  -18.3820
            20  C1c C    30.0065  -17.6672
            21  C1a C    30.0000  -16.2702
            22  C1a C    31.2105  -18.3691
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     3   9 1 #Down
            9     3  10 1 #Up
            10    4  11 1
            11    5  12 1
            12    5  13 1
            13    6  14 1
            14    9  15 1
            15    9  16 2
            16   12  17 1
            17   13  18 1
            18   17  19 2
            19   19  20 1
            20   20  21 1
            21   20  22 1
            22    8  14 1
            23   11  12 2
            24   18  19 1

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