KEGG   COMPOUND: C18045Help
Entry
C18045                      Compound                               

Name
7alpha-Hydroxydehydroepiandrosterone;
7alpha-OH-DHEA;
3beta,7alpha-Dihydroxy-5-androstene-17-one
Formula
C19H28O3
Exact mass
304.2038
Mol weight
304.4238
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00140  Steroid hormone biosynthesis
Enzyme
Other DBs
CAS: 53-00-9
PubChem: 96024265
ChEBI: 81471
ChEMBL: CHEMBL1079392
NIKKAJI: J575.713D
LinkDB All DBs
KCF data Show

ATOM        22
            1   C1x C    17.5443  -19.9231
            2   C1y C    17.5443  -21.2512
            3   C1x C    18.7327  -21.9503
            4   C2y C    19.9210  -21.2512
            5   C1z C    19.9210  -19.9231
            6   C1x C    18.7327  -19.2240
            7   C2x C    21.1094  -21.9503
            8   C1y C    22.2978  -21.2512
            9   C1y C    22.2978  -19.9231
            10  C1y C    21.1094  -19.2240
            11  C1y C    23.4862  -19.2240
            12  C1z C    23.4862  -17.8259
            13  C1x C    22.2978  -17.1269
            14  C1x C    21.1094  -17.8259
            15  O1a O    16.3559  -21.9503
            16  C1a C    19.9210  -18.5250
            17  C1a C    23.4862  -16.4278
            18  O1a O    23.5114  -21.9454
            19  C1x C    25.9110  -19.2240
            20  C1x C    25.9110  -17.8259
            21  C5x C    24.6986  -17.1259
            22  O5x O    24.6986  -15.7259
BOND        25
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 2
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17    2  15 1 #Up
            18    5  16 1 #Up
            19   12  17 1 #Up
            20    8  18 1 #Down
            21   11  19 1
            22   19  20 1
            23   20  21 1
            24   12  21 1
            25   21  22 2

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