KEGG   COMPOUND: C22116Help
Entry
C22116                      Compound                               

Name
3beta-Hydroxy-4beta,14alpha-dimethyl-9beta,19-cyclo-5alpha-ergost-24(24(1))-en-4alpha-carboxylate
Formula
C31H50O3
Exact mass
470.376
Mol weight
470.7269
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00100  Steroid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
1.1.1.418       1.14.18.10
Other DBs
ChEMBL: CHEMBL331318
KCF data Show

ATOM        34
            1   C1z C    16.2910  -16.5695
            2   C1z C    15.0379  -17.2657
            3   C1y C    17.4049  -17.2657
            4   C1x C    14.9683  -15.8733
            5   C1x C    16.2910  -15.1075
            6   C1y C    15.0379  -18.6580
            7   C1x C    13.8544  -16.5695
            8   C1z C    18.6580  -16.5695
            9   C1x C    17.4049  -18.6580
            10  C1x C    17.4745  -14.4809
            11  C1z C    13.8544  -19.3542
            12  C1x C    16.2214  -19.3542
            13  C1x C    12.6709  -17.2657
            14  C1z C    18.7277  -15.1771
            15  C1x C    21.0250  -16.5695
            16  C1a C    18.6580  -17.9619
            17  C1y C    12.6709  -18.6580
            18  C1y C    19.9112  -14.4809
            19  C1a C    18.7277  -13.7848
            20  C1x C    21.0250  -15.1771
            21  O1a O    11.4874  -19.3542
            22  C1c C    19.9112  -13.0886
            23  C1b C    21.0250  -12.4620
            24  C1a C    18.7277  -12.4620
            25  C1b C    22.2086  -13.0886
            26  C2c C    23.3921  -12.4620
            27  C1c C    24.5756  -13.0886
            28  C2a C    23.3921  -11.0697
            29  C1a C    24.5756  -14.4809
            30  C1a C    25.7591  -12.3924
            31  C1a C    13.1582  -20.5377
            32  C6a C    14.1329  -20.8162
            33  O6a O    15.2467  -21.3035
            34  O6a O    13.0604  -21.7262
BOND        38
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     5  10 1
            10    6  11 1
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14    8  15 1
            15    8  16 1 #Down
            16   11  17 1
            17   14  18 1
            18   14  19 1 #Up
            19   15  20 1
            20   17  21 1 #Up
            21   18  22 1
            22   22  23 1
            23   22  24 1 #Down
            24   23  25 1
            25   25  26 1
            26   26  27 1
            27   26  28 2
            28   27  29 1
            29   27  30 1
            30    2   4 1 #Up
            31    9  12 1
            32   10  14 1
            33   13  17 1
            34   18  20 1
            35   11  31 1 #Up
            36   11  32 1 #Down
            37   32  33 2
            38   32  34 1

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