KEGG   COMPOUND: C12978
Entry
C12978                      Compound                               
Name
Epidihydrocholesterin;
Epicholestanol;
5alpha-Cholestan-3alpha-ol
Formula
C27H48O
Exact mass
388.3705
Mol weight
388.6694
Structure
Remark
Same as: D01527
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST01 Sterols
   ST0101 Cholesterol and derivatives
    C12978  Epidihydrocholesterin
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D01527  Epidihydrocholesterin (JAN)
Other DBs
CAS: 516-95-0
PubChem: 583367
ChEBI: 31542
LIPIDMAPS: LMST01010098
NIKKAJI: J14.274C
LinkDB
KCF data

ATOM        28
            1   C1x C    24.1661  -16.4497
            2   C1y C    24.1661  -17.8266
            3   C1x C    25.3615  -18.5151
            4   C1x C    25.3615  -15.7612
            5   C1z C    26.5498  -16.4497
            6   C1y C    26.5440  -17.8266
            7   C1x C    27.7335  -18.5203
            8   C1x C    28.9288  -17.8368
            9   C1y C    27.7452  -15.7664
            10  C1y C    28.9288  -16.4629
            11  C1x C    28.8813  -13.7162
            12  C1x C    27.6865  -14.3931
            13  C1z C    30.0652  -14.4125
            14  C1y C    30.1185  -15.7818
            15  C1x C    32.4900  -15.7405
            16  C1y C    31.3292  -13.7424
            17  C1x C    32.5040  -14.4427
            18  C1b C    32.5422  -11.7074
            19  C1c C    31.3482  -12.3746
            20  C1b C    33.7170  -12.4079
            21  C1b C    34.9105  -11.7464
            22  C1c C    36.0800  -12.4494
            23  C1a C    36.0506  -13.8065
            24  C1a C    37.2700  -11.7963
            25  C1a C    30.1656  -11.6697
            26  C1a C    26.5375  -15.0728
            27  O1a O    22.9740  -18.5158
            28  C1a C    30.0558  -13.0352
BOND        31
            1    16  13 1
            2    14  15 1
            3     6   7 1
            4     7   8 1
            5     8  10 1
            6     9   5 1
            7    16  17 1
            8    20  18 1
            9    18  19 1
            10   19  16 1
            11    5   4 1
            12    4   1 1
            13   22  21 1
            14   21  20 1
            15    1   2 1
            16    9  10 1
            17   22  23 1
            18   24  22 1
            19   10  14 1
            20   19  25 1 #Down
            21   13  11 1
            22   11  12 1
            23   12   9 1
            24    2   3 1
            25    3   6 1
            26    5  26 1 #Up
            27    5   6 1
            28   13  14 1
            29    2  27 1 #Down
            30   15  17 1
            31   13  28 1 #Up

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