KEGG   COMPOUND: C15808
Entry
C15808                      Compound                               
Name
4alpha-Methylzymosterol-4-carboxylate;
4alpha-Carboxy-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
Formula
C29H46O3
Exact mass
442.3447
Mol weight
442.67
Structure
Reaction
Pathway
map00100  Steroid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00101  Cholesterol biosynthesis, FPP => cholesterol
M00102  Ergocalciferol biosynthesis, FPP => ergosterol/ergocalciferol
Enzyme
1.1.1.170       1.14.18.9
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST01 Sterols
   ST0101 Cholesterol and derivatives
    C15808  4alpha-Methylzymosterol-4-carboxylate
Other DBs
PubChem: 47205133
ChEBI: 168659 177277 50591
LIPIDMAPS: LMST01010388
PDB-CCD: 4D8[PDBj]
NIKKAJI: J1.817.123F
LinkDB
KCF data

ATOM        32
            1   C2y C    25.3025  -20.8974
            2   C2y C    24.1040  -20.2045
            3   C1y C    26.5072  -20.1920
            4   C1x C    25.2450  -22.2830
            5   C1z C    22.9118  -20.9036
            6   C1x C    24.0915  -18.8189
            7   C1z C    26.5136  -18.8064
            8   C1x C    28.9168  -20.1345
            9   C1x C    24.1104  -22.9697
            10  C1y C    22.9118  -22.2767
            11  C1x C    21.7256  -20.2234
            12  C1a C    22.9056  -19.6054
            13  C1x C    25.2964  -18.1134
            14  C1y C    27.7182  -18.1072
            15  C1a C    26.5072  -17.4456
            16  C1x C    28.9168  -18.8125
            17  C1z C    21.7256  -22.9697
            18  C1x C    20.5461  -20.9036
            19  C1c C    27.7244  -16.7527
            20  C1y C    20.5461  -22.2767
            21  C1b C    28.8980  -16.0785
            22  C1a C    26.5510  -16.0660
            23  O1a O    19.3664  -22.8810
            24  C1b C    30.0715  -16.7590
            25  C2b C    31.2512  -16.0847
            26  C2c C    32.4247  -16.7652
            27  C1a C    33.6044  -16.0910
            28  C1a C    32.4184  -18.1259
            29  C1a C    20.5139  -23.8093
            30  C6a C    21.7256  -24.3690
            31  O6a O    20.5139  -25.0686
            32  O6a O    22.9375  -25.0686
BOND        35
            1     1   2 2
            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     4   9 1
            9     5  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    7  15 1 #Up
            15    8  16 1
            16   10  17 1
            17   11  18 1
            18   14  19 1
            19   17  20 1
            20   19  21 1
            21   19  22 1 #Down
            22   20  23 1 #Up
            23   21  24 1
            24   24  25 1
            25   25  26 2
            26   26  27 1
            27   26  28 1
            28    7  13 1
            29    9  10 1
            30   14  16 1
            31   18  20 1
            32   17  29 1 #Up
            33   17  30 1
            34   30  31 1
            35   30  32 2

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