| Entry |
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| Name |
Etiocholan-3alpha-ol-17-one 3-glucuronide
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| Formula |
C25H38O8
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| Exact mass |
466.2567
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| Mol weight |
466.56
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| Structure |
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| Reaction |
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| Pathway |
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| Enzyme |
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| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST05 Steroid conjugates
ST0501 Glucuronides
C11136 Etiocholan-3alpha-ol-17-one 3-glucuronide
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 33
1 C1y C 20.9867 -22.2219
2 C1y C 20.9867 -23.6215
3 C1y C 22.2017 -24.3213
4 C1y C 23.4097 -23.6215
5 C1y C 23.4097 -22.2219
6 O2x O 22.2017 -21.5221
7 C1y C 30.8535 -19.4053
8 C1y C 29.6313 -18.6941
9 C1y C 32.1179 -18.7138
10 C1x C 30.8386 -20.8618
11 C1z C 28.3342 -19.3948
12 C1x C 29.6417 -17.2633
13 C1z C 32.1541 -17.2830
14 C1x C 29.6103 -21.5602
15 C1y C 28.3786 -20.8151
16 C1x C 27.1503 -18.6717
17 C1a C 28.3446 -17.9548
18 C1x C 30.8956 -16.5553
19 C1x C 27.1130 -21.5394
20 C1x C 25.8905 -19.3738
21 C1y C 25.8905 -20.8316
22 O2a O 24.6262 -21.5346
23 O1a O 22.2036 -25.7210
24 C6a C 19.7750 -21.5214
25 O1a O 24.6223 -24.3205
26 O1a O 19.7750 -24.3220
27 O6a O 19.7757 -20.1218
28 O6a O 18.5625 -22.2207
29 C1x C 34.5420 -18.7050
30 C1x C 34.5082 -17.3442
31 C5x C 33.3838 -16.6138
32 O5x O 33.3690 -15.1909
33 C1a C 32.1541 -15.8830
BOND 37
1 3 4 1
2 7 8 1
3 7 9 1
4 7 10 1
5 8 11 1
6 8 12 1
7 9 13 1
8 10 14 1
9 11 15 1
10 11 16 1
11 11 17 1 #Up
12 12 18 1
13 15 19 1
14 16 20 1
15 19 21 1
16 21 22 1 #Down
17 13 18 1
18 14 15 1
19 20 21 1
20 5 22 1 #Up
21 4 5 1
22 3 23 1 #Up
23 5 6 1
24 1 24 1 #Up
25 6 1 1
26 4 25 1 #Down
27 2 26 1 #Down
28 1 2 1
29 24 27 2
30 2 3 1
31 24 28 1
32 9 29 1
33 29 30 1
34 30 31 1
35 13 31 1
36 31 32 2
37 13 33 1 #Up
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