 | | COMPOUND: C11301 | |
| Entry |
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| Name |
Sulfoglycolithocholate;
Glycolithocholate 3-sulfate;
Sulfolithocholylglycine
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| Formula |
C26H42NO7S
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| Exact mass |
512.2682
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| Mol weight |
512.68
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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
ST04 Bile acids and derivatives
ST0402 C26 bile acids, alcohols, and derivatives
C11301 Sulfolithocholylglycine
ST05 Steroid conjugates
ST0503 Glycine conjugates
C11301 Sulfoglycolithocholate
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| Other DBs |
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| KCF data |
ATOM 35
1 C1y C 27.4151 -19.5484
2 C1y C 28.6128 -18.8588
3 C1y C 26.2349 -18.8647
4 C1x C 27.4151 -20.9154
5 C1z C 28.6304 -17.5092
6 C1x C 30.9381 -18.8181
7 C1z C 25.0313 -19.5484
8 C1x C 26.2349 -17.4916
9 C1x C 26.2349 -21.5931
10 C1y C 29.7977 -16.8606
11 C1x C 27.4151 -16.8139
12 C1a C 28.6479 -16.1480
13 C1x C 30.9498 -17.5443
14 C1y C 25.0896 -20.8979
15 C1x C 23.8569 -18.8647
16 C1a C 25.0313 -18.1693
17 C1c C 29.8210 -15.4995
18 C1x C 23.8395 -21.5757
19 C1x C 22.6534 -19.5484
20 C1b C 31.0142 -14.8264
21 C1a C 28.6421 -14.5002
22 C1y C 22.7058 -20.8979
23 C1b C 32.1826 -15.5346
24 O2a O 21.4252 -21.5757
25 C5a C 33.3746 -14.8684
26 N1b N 34.5430 -15.5695
27 O5a O 33.3921 -13.5070
28 C1b C 35.7564 -14.8877
29 C6a C 36.9499 -15.6038
30 S4a S 20.0278 -21.5669
31 O1d O 20.0207 -20.1761
32 O1d O 18.6371 -21.5599
33 O1d O 20.0207 -22.9578 #-
34 O6a O 36.9263 -17.0014
35 O6a O 38.1720 -14.9252
BOND 38
1 2 5 1
2 2 6 1
3 3 7 1
4 3 8 1
5 4 9 1
6 5 10 1
7 5 11 1
8 5 12 1 #Up
9 6 13 1
10 7 14 1
11 7 15 1
12 7 16 1 #Up
13 10 17 1
14 14 18 1
15 15 19 1
16 17 20 1
17 17 21 1 #Down
18 18 22 1
19 20 23 1
20 22 24 1 #Down
21 23 25 1
22 25 26 1
23 25 27 2
24 8 11 1
25 9 14 1
26 10 13 1
27 19 22 1
28 26 28 1
29 28 29 1
30 24 30 1
31 30 31 2
32 1 2 1
33 30 32 2
34 1 3 1
35 30 33 1
36 29 34 2
37 1 4 1
38 29 35 1
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