 | | COMPOUND: C02822 | |
| Entry |
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| Name |
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| Formula |
C21H30O8S
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| Exact mass |
442.1661
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| Mol weight |
442.5231
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| Structure |
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| Reaction |
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| Enzyme |
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| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST02 Steroids
ST0203 C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives
C02822 Cortisol 21-sulfate
ST05 Steroid conjugates
ST0502 Sulfates
C02822 Cortisol 21-sulfate
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| Other DBs |
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| KCF data |
ATOM 30
1 C1z C 25.9161 -15.4333
2 C1y C 25.9098 -16.8095
3 C1z C 27.1071 -14.7484
4 C1x C 24.7126 -14.7545
5 C1a C 25.9098 -14.0941
6 C1y C 24.7189 -17.5067
7 C1x C 28.2610 -16.8279
8 C1x C 28.2673 -15.4209
9 C5a C 27.1132 -13.4093
10 O1a O 28.4460 -14.3284
11 C1y C 23.4887 -15.3778
12 C1y C 23.5340 -16.8218
13 C1x C 24.7312 -18.8768
14 C1b C 28.4215 -12.6440
15 O5a O 25.9530 -12.7305
16 O1a O 22.3553 -14.7855
17 C1z C 22.3614 -17.5130
18 C1x C 23.5463 -19.5494
19 O2a O 29.7544 -13.4710
20 C2y C 22.3614 -18.8706
21 C1x C 21.1828 -16.8403
22 C1a C 22.3161 -16.1244
23 S4a S 31.0936 -13.4647
24 C2x C 21.1828 -19.5556
25 C1x C 20.0228 -17.5130
26 O1d O 31.0873 -12.1258
27 O1d O 32.4325 -13.4647
28 O1d O 31.0936 -14.8102
29 C5x C 20.0228 -18.8706
30 O5x O 18.8563 -19.5370
BOND 33
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 3 10 1 #Down
10 4 11 1
11 6 12 1
12 6 13 1
13 9 14 1
14 9 15 2
15 11 16 1
16 12 17 1
17 13 18 1
18 14 19 1
19 17 20 1
20 17 21 1
21 17 22 1
22 19 23 1
23 20 24 2
24 21 25 1
25 23 26 1
26 23 27 2
27 23 28 2
28 24 29 1
29 29 30 2
30 7 8 1
31 11 12 1
32 18 20 1
33 25 29 1
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