KEGG   COMPOUND: C08813
Entry
C08813                      Compound                               
Name
Brassicasterol;
(3beta,22E)-Ergosta-5,22-dien-3-ol
Formula
C28H46O
Exact mass
398.3549
Mol weight
398.6642
Structure
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
Other DBs
CAS: 474-67-9
PubChem: 11006
ChEBI: 3168
LIPIDMAPS: LMST01030098 LMST01030114
KNApSAcK: C00003646
3DMET: B02432
NIKKAJI: J12.044H
KCF data

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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