KEGG   COMPOUND: C06083
Entry
C06083                      Compound                               

Name
Tetrahymanol
Formula
C30H52O
Exact mass
428.4018
Mol weight
428.7333
Structure
Reaction
Pathway
map00909  Sesquiterpenoid and triterpenoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0106 C30 isoprenoids (triterpenes)
    PR010621 Arborinane and stictane triterpenoids
     C06083  Tetrahymanol
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Hopanes
    C06083  Tetrahymanol
Other DBs
CAS: 2130-17-8
PubChem: 8349
ChEBI: 9493
ChEMBL: CHEMBL485801
LIPIDMAPS: LMPR0106210001 LMPR0106220001
3DMET: B01966
NIKKAJI: J14.985C
KCF data

ATOM        31
            1   C1z C    25.8149  -21.3201
            2   C1y C    24.6032  -20.6073
            3   C1z C    27.0312  -20.6131
            4   C1x C    25.8149  -22.7207
            5   C1a C    25.7961  -20.1874
            6   C1z C    23.3800  -21.3084
            7   C1x C    24.5392  -19.2064
            8   C1y C    27.0369  -19.2180
            9   C1x C    28.2298  -21.3258
            10  C1a C    27.0195  -22.0198
            11  C1x C    24.5915  -23.4148
            12  C1y C    23.3741  -22.7092
            13  C1x C    22.1695  -20.6014
            14  C1a C    23.3684  -19.8946
            15  C1x C    25.8325  -18.5124
            16  C1z C    28.2545  -18.5358
            17  C1x C    29.4473  -20.6307
            18  C1z C    22.1695  -23.4089
            19  C1x C    20.9463  -21.3084
            20  C1y C    29.4532  -19.2355
            21  C1x C    28.2662  -17.1467
            22  C1a C    28.1086  -19.5166
            23  C1x C    20.9463  -22.7092
            24  C1a C    21.6557  -24.8331
            25  C1a C    22.7302  -24.8331
            26  C1z C    30.6577  -18.5532
            27  C1x C    29.4764  -16.4644
            28  C1y C    30.6765  -17.1641
            29  C1a C    31.7897  -19.6853
            30  C1a C    32.0120  -18.5598
            31  O1a O    31.8752  -16.4585
BOND        35
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     3  10 1 #Down
            10    4  11 1
            11    6  12 1
            12    6  13 1
            13    6  14 1 #Up
            14    7  15 1
            15    8  16 1
            16    9  17 1
            17   12  18 1
            18   13  19 1
            19   16  20 1
            20   16  21 1
            21   16  22 1 #Down
            22   18  23 1
            23   18  24 1
            24   18  25 1
            25   20  26 1
            26   21  27 1
            27   26  28 1
            28   26  29 1
            29   26  30 1
            30   28  31 1 #Down
            31    8  15 1
            32   11  12 1
            33   17  20 1
            34   19  23 1
            35   27  28 1

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