KEGG   COMPOUND: C04676Help
Entry
C04676                      Compound                               

Name
Testololactone;
3-Oxo-13,17-secoandrost-4-ene-17,13alpha-lactone
Formula
C19H26O3
Exact mass
302.1882
Mol weight
302.4079
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Steroid hormone biosynthesis
Enzyme
1.14.13.54      1.14.99.12      3.1.1.37
Brite
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST02 Steroids
   ST0202 C19 steroids (androgens) and derivatives
    C04676  3-Oxo-13,17-secoandrost-4-ene-17,13alpha-lactone
BRITE hierarchy
Other DBs
CAS: 
4416-57-3
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        22
            1   C1y C    27.7506  -18.2205
            2   C1z C    26.5249  -18.9266
            3   C1y C    28.9527  -18.9266
            4   C1x C    27.7506  -16.8199
            5   C2y C    26.5249  -20.3447
            6   C1x C    25.3111  -18.2205
            7   C1a C    26.5249  -17.6077
            8   C1y C    30.1607  -18.2437
            9   C1x C    28.9527  -20.3447
            10  C1x C    28.9527  -16.1546
            11  C1x C    27.7506  -21.0450
            12  C2x C    25.3111  -21.0450
            13  C1x C    24.1031  -18.9266
            14  C1z C    30.1607  -16.8724
            15  C1x C    31.3747  -18.9500
            16  C5x C    24.1031  -20.3447
            17  O7x O    31.3630  -16.1721
            18  C1a C    30.1607  -15.4310
            19  C1x C    32.5827  -18.2730
            20  O5x O    22.9126  -21.0509
            21  C7x C    32.5827  -16.8724
            22  O6a O    33.7906  -16.1721
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 2
            12    6  13 1
            13    8  14 1
            14    8  15 1
            15   12  16 1
            16   14  17 1
            17   14  18 1 #Up
            18   15  19 1
            19   16  20 2
            20   17  21 1
            21   21  22 2
            22    9  11 1
            23   10  14 1
            24   13  16 1
            25   19  21 1

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