| Entry |
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| Name |
3-Hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate;
(1E,2Z)-3-Hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate;
DSHA
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| Formula |
C19H24O6
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| Exact mass |
348.1573
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| Mol weight |
348.3903
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| Structure |
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| Reaction |
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| Pathway |
| map01120 | Microbial metabolism in diverse environments |
| map01220 | Degradation of aromatic compounds |
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| Enzyme |
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| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST02 Steroids
ST0202 C19 steroids (androgens) and derivatives
C04844 3-Hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 25
1 C1y C 19.7883 -12.8122
2 C1z C 19.7824 -11.4657
3 C1y C 18.6403 -13.4804
4 C1x C 22.1272 -12.8122
5 C5x C 20.9431 -10.7855
6 C1x C 18.6215 -10.8030
7 C1a C 19.7679 -10.0897
8 C5x C 17.4608 -12.8238
9 C1b C 18.6462 -14.8244
10 C1x C 22.1155 -11.4540
11 O5x O 20.9372 -9.3937
12 C1x C 17.4549 -11.4787
13 O5x O 16.2995 -13.5582
14 C1b C 17.4853 -15.5069
15 C5a C 17.4736 -16.8450
16 C2c C 16.3115 -17.5134
17 C2b C 16.3232 -18.8646
18 O5a O 18.6724 -17.5386
19 C1a C 15.1067 -16.8301
20 C2b C 15.1107 -19.5646
21 C2c C 15.1107 -20.9646
22 O1a O 16.3232 -21.6646
23 C6a C 13.9202 -21.6514
24 O6a O 12.7062 -20.9500
25 O6a O 13.9199 -23.0300
BOND 26
1 3 9 1
2 4 10 1
3 5 11 2
4 6 12 1
5 8 13 2
6 9 14 1
7 14 15 1
8 15 16 1
9 16 17 2
10 5 10 1
11 8 12 1
12 15 18 2
13 1 2 1
14 16 19 1
15 1 3 1
16 1 4 1
17 2 5 1
18 2 6 1
19 2 7 1 #Up
20 3 8 1
21 17 20 1
22 20 21 2
23 21 22 1
24 21 23 1
25 23 24 1
26 23 25 2
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