| Entry |
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| Name |
Taurocholate;
Taurocholic acid;
Cholyltaurine
|
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| Formula |
C26H45NO7S
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| Exact mass |
515.2917
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| Mol weight |
515.703
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| Structure |
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| Reaction |
|
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| Pathway |
| map00121 | Secondary bile acid biosynthesis |
| map00430 | Taurine and hypotaurine metabolism |
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| Module |
| M00106 | Conjugated bile acid biosynthesis, cholate => taurocholate/glycocholate |
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| Enzyme |
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| Brite |
Compounds with biological roles [BR:br08001]
Steroids
24-Carbon atoms
Cholane derivatives
C05122 Taurocholate
Lipids [BR:br08002]
ST Sterol lipids
ST04 Bile acids and derivatives
ST0402 C26 bile acids, alcohols, and derivatives
C05122 Taurocholic acid
ST05 Steroid conjugates
ST0504 Taurine conjugates
C05122 Taurocholate
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 35
1 C1y C 14.9886 -18.2170
2 C1y C 16.0967 -17.5276
3 C1y C 13.7484 -17.5398
4 C1y C 14.9257 -19.5710
5 C1z C 16.1028 -16.1674
6 C1x C 18.4512 -17.5404
7 C1z C 12.5834 -18.2229
8 C1x C 13.8049 -16.1857
9 C1x C 13.7545 -20.2357
10 O1a O 16.0784 -20.2357
11 C1y C 17.2800 -15.4904
12 C1y C 14.9135 -15.4963
13 C1a C 16.1286 -14.7519
14 C1x C 18.4512 -16.1796
15 C1y C 12.5834 -19.5648
16 C1x C 11.4183 -17.5580
17 C1a C 12.5773 -16.8993
18 C1c C 17.2863 -13.6137
19 O1a O 14.7932 -14.2052
20 C1x C 11.4183 -20.2419
21 C1x C 10.2716 -18.2229
22 C1b C 18.4329 -12.9487
23 C1a C 16.0709 -12.6685
24 C1y C 10.2716 -19.5648
25 C1b C 19.5796 -13.6197
26 O1a O 9.1189 -20.2236
27 C5a C 20.7324 -12.9610
28 N1b N 21.8791 -13.6258
29 O5a O 20.7391 -11.6312
30 C1b C 23.0651 -12.9500
31 C1b C 24.2626 -13.6413
32 S4a S 25.6626 -13.6413
33 O1d O 25.6626 -15.0413
34 O1d O 25.6626 -12.2413
35 O1d O 27.0626 -13.6413
BOND 38
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 4 10 1 #Down
10 5 11 1
11 5 12 1
12 5 13 1 #Up
13 6 14 1
14 7 15 1
15 7 16 1
16 7 17 1 #Up
17 11 18 1
18 12 19 1 #Down
19 15 20 1
20 16 21 1
21 18 22 1
22 18 23 1 #Down
23 20 24 1
24 22 25 1
25 24 26 1 #Down
26 25 27 1
27 27 28 1
28 27 29 2
29 8 12 1
30 9 15 1
31 11 14 1
32 21 24 1
33 28 30 1
34 30 31 1
35 31 32 1
36 32 33 2
37 32 34 2
38 32 35 1
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