KEGG   COMPOUND: C09140
Entry
C09140                      Compound                               
Name
Neocembrene;
Cembrene A;
(R)-Cembrene A;
(1E,5E,9E,12R)-1,5,9-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-1,5,9-triene
Formula
C20H32
Exact mass
272.2504
Mol weight
272.4681
Structure
Reaction
R10898
Enzyme
4.2.3.150
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0104 C20 isoprenoids (diterpenes)
    PR010419 Cembrane diterpenoids
     C09140  Neocembrene
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Cembrenes
    C09140  Neocembrene
Other DBs
CAS: 31570-39-5
PubChem: 11332
ChEBI: 82800
LIPIDMAPS: LMPR0104190001
KNApSAcK: C00003458
3DMET: B02712
NIKKAJI: J18.005J
KCF data

ATOM        20
            1   C2x C    13.4365  -10.4065
            2   C2y C    13.4365  -11.8131
            3   C1x C    15.8980  -11.8131
            4   C1y C    15.8980  -10.4065
            5   C1x C    14.6321   -9.7032
            6   C1x C    12.2409  -12.5164
            7   C1x C    12.2409  -13.9229
            8   C2x C    13.4365  -14.6262
            9   C2x C    15.8980  -14.6262
            10  C2y C    17.0936  -13.9229
            11  C1x C    17.0936  -12.5164
            12  C2y C    13.4365  -16.0327
            13  C1x C    14.6321  -16.7360
            14  C1x C    15.8980  -16.0327
            15  C1a C    12.2409  -16.7360
            16  C1a C    18.2891  -14.6262
            17  C1a C    14.6321  -12.5164
            18  C2c C    17.0936   -9.7032
            19  C2a C    18.2891  -10.4065
            20  C1a C    17.0936   -8.2967
BOND        20
            1     1   2 2
            2     3   4 1
            3     4   5 1
            4     1   5 1
            5     2   6 1
            6     6   7 1
            7     7   8 1
            8     9  10 2
            9    10  11 1
            10    3  11 1
            11    8  12 2
            12   12  13 1
            13   13  14 1
            14   14   9 1
            15   12  15 1
            16   10  16 1
            17    2  17 1
            18    4  18 1 #Down
            19   18  19 2
            20   18  20 1

» Japanese version

  All links  
Chemical substance (6)   
   PubChem (1)   
   ChEBI (1)   
   3DMET (1)   
   KNApSAcK (1)   
   LIPIDMAPS (1)   
   NIKKAJI (1)   
Chemical reaction (2)   
   KEGG ENZYME (1)   
   KEGG REACTION (1)   
All databases (8)   

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