KEGG   COMPOUND: C05479Help
Entry
C05479                      Compound                               

Name
5beta-Pregnane-3,20-dione
Formula
C21H32O2
Exact mass
316.2402
Mol weight
316.4776
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
map00140  Steroid hormone biosynthesis
map01100  Metabolic pathways
Enzyme
1.1.1.50        1.1.1.277       1.3.1.3         1.3.99.6
Other DBs
CAS: 128-23-4
PubChem: 7839
ChEBI: 30154
ChEMBL: CHEMBL486954
LIPIDMAPS: LMST02030146
LipidBank: SST0097
PDB-CCD: CI2[PDBj]
3DMET: B05053
NIKKAJI: J6.569B
KCF data Show

ATOM        23
            1   C1x C    12.8800  -27.5100
            2   C5x C    12.8800  -28.9100
            3   C1x C    14.0924  -29.6100
            4   C1y C    15.3049  -28.9100
            5   C1z C    15.3049  -27.5100
            6   C1x C    14.0924  -26.8100
            7   C1x C    16.5173  -29.6100
            8   C1x C    17.7297  -28.9100
            9   C1y C    17.7297  -27.5100
            10  C1y C    16.5173  -26.8100
            11  C1y C    18.9422  -26.8100
            12  C1z C    18.9422  -25.4100
            13  C1x C    17.7297  -24.7100
            14  C1x C    16.5173  -25.4100
            15  C1x C    21.3670  -26.8100
            16  C1x C    21.3670  -25.4100
            17  C1y C    20.1546  -24.7100
            18  C5a C    20.1546  -23.3100
            19  C1a C    18.9422  -24.0100
            20  C1a C    15.3049  -26.1100
            21  O5x O    11.6676  -29.6100
            22  C1a C    21.3711  -22.6077
            23  O5a O    18.9462  -22.6123
BOND        26
            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 1
            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   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   17  18 1 #Up
            22   12  19 1 #Up
            23    5  20 1 #Up
            24    2  21 2
            25   18  22 1
            26   18  23 2

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