KEGG   COMPOUND: C13713
Entry
C13713                      Compound                               
Name
Allotetrahydrodeoxycorticosterone;
5alpha-THDOC;
3alpha,21-Dihydroxy-5alpha-pregnan-20-one
Formula
C21H34O3
Exact mass
334.2508
Mol weight
334.4929
Structure
Reaction
Pathway
map00140  Steroid hormone biosynthesis
Enzyme
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST02 Steroids
   ST0203 C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives
    C13713  Allotetrahydrodeoxycorticosterone
Other DBs
CAS: 567-02-2
PubChem: 586302
ChEBI: 34461
LIPIDMAPS: LMST02030132 LMST05030013
PDB-CCD: A8Z[PDBj]
NIKKAJI: J188.433F
LinkDB
KCF data

ATOM        24
            1   C1y C    26.2281  -16.8340
            2   C1y C    24.9928  -16.1588
            3   C1y C    27.4042  -16.1466
            4   C1x C    26.2733  -18.1836
            5   C1z C    23.8756  -16.8462
            6   C1x C    24.9633  -14.7972
            7   C1z C    27.4042  -14.7846
            8   C1x C    29.7694  -16.1530
            9   C1x C    25.0519  -18.8644
            10  C1y C    23.8756  -18.1958
            11  C1x C    22.7057  -16.1776
            12  C1a C    23.9036  -15.2799
            13  C1x C    26.2157  -14.1098
            14  C1y C    28.5993  -14.1036
            15  C1x C    29.7756  -14.7908
            16  C1x C    22.7057  -18.8768
            17  C1x C    21.5541  -16.8462
            18  C5a C    28.5993  -12.7664
            19  C1y C    21.5541  -18.1958
            20  C1b C    29.7570  -12.1101
            21  C1a C    27.3918  -13.4174
            22  O1a O    20.3919  -18.8587
            23  O5a O    27.4438  -12.0932
            24  O1a O    30.9043  -12.7846
BOND        27
            1     4   9 1
            2     5  10 1
            3     5  11 1
            4     5  12 1 #Up
            5     6  13 1
            6     7  14 1
            7     8  15 1
            8    10  16 1
            9    11  17 1
            10   14  18 1 #Up
            11   16  19 1
            12   18  20 1
            13    7  13 1
            14    9  10 1
            15   14  15 1
            16   17  19 1
            17    7  21 1 #Up
            18    1   2 1
            19    1   3 1
            20    1   4 1
            21    2   5 1
            22    2   6 1
            23   19  22 1 #Down
            24    3   7 1
            25   18  23 2
            26    3   8 1
            27   20  24 1

» Japanese version

DBGET integrated database retrieval system