KEGG   COMPOUND: C08813Help
Entry
C08813                      Compound                               

Name
Brassicasterol
Formula
C28H46O
Exact mass
398.3549
Mol weight
398.6642
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00100  Steroid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
Brite
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST01 Sterols
   ST0103 Ergosterols and C24-methyl derivatives
    C08813  Brassicasterol
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Ergostane
    C08813  Brassicasterol
BRITE hierarchy
Other DBs
CAS: 474-67-9
PubChem: 11006
ChEBI: 3168
LIPIDMAPS: LMST01030098 LMST01030114
KNApSAcK: C00003646
3DMET: B02432
NIKKAJI: J12.044H
KCF data Show

ATOM        29
            1   C1y C    22.7506  -20.0517
            2   C1y C    21.5696  -20.7300
            3   C1z C    22.7683  -18.6892
            4   C1x C    25.1189  -20.0108
            5   C1y C    20.3883  -20.0400
            6   C1x C    21.5696  -22.1040
            7   C1y C    23.9610  -18.0226
            8   C1x C    21.5930  -17.9992
            9   C1a C    22.7566  -17.3209
            10  C1x C    25.1306  -18.7183
            11  C1z C    19.2013  -20.7183
            12  C1x C    20.4000  -18.6717
            13  C2x C    20.3766  -22.7881
            14  C1c C    23.9493  -16.6543
            15  C2y C    19.1956  -22.0923
            16  C1x C    18.0143  -20.0340
            17  C1a C    19.1896  -19.3440
            18  C2b C    25.1306  -15.9702
            19  C1a C    22.7566  -15.9702
            20  C1x C    18.0143  -22.7823
            21  C1x C    16.8216  -20.7183
            22  C2b C    26.3117  -16.6485
            23  C1y C    16.8216  -22.0923
            24  C1c C    27.4987  -15.9643
            25  O1a O    15.6346  -22.7706
            26  C1c C    28.6799  -16.6426
            27  C1a C    27.4929  -14.5903
            28  C1a C    28.6799  -18.0051
            29  C1a C    29.8669  -15.9526
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14   11  15 1
            15   11  16 1
            16   11  17 1 #Up
            17   14  18 1
            18   14  19 1 #Down
            19   15  20 1
            20   16  21 1
            21   18  22 2
            22   20  23 1
            23   22  24 1
            24   23  25 1 #Up
            25   24  26 1
            26   24  27 1 #Down
            27   26  28 1
            28   26  29 1
            29    7  10 1
            30    8  12 1
            31   13  15 2
            32   21  23 1

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