| Entry |
|
|---|
| Name |
Taurolithocholate;
Taurolithocholic acid
|
|---|
| Formula |
C26H45NO5S
|
|---|
| Exact mass |
483.3018
|
|---|
| Mol weight |
483.71
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST04 Bile acids and derivatives
ST0402 C26 bile acids, alcohols, and derivatives
C02592 Taurolithocholate
ST05 Steroid conjugates
ST0504 Taurine conjugates
C02592 Taurolithocholate
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 33
1 C1y C 27.7653 -19.1934
2 C1y C 26.5507 -19.8949
3 C1z C 27.7711 -17.7976
4 C1x C 30.1840 -19.1993
5 C1y C 25.3477 -19.2051
6 C1x C 26.5331 -21.3375
7 C1y C 28.9740 -17.1090
8 C1x C 26.5448 -17.1148
9 C1a C 27.7186 -16.4192
10 C1x C 30.1840 -17.8035
11 C1z C 24.1564 -19.9066
12 C1x C 25.3360 -17.8093
13 C1x C 25.3534 -21.9735
14 C1c C 28.9799 -15.7423
15 C1y C 24.1564 -21.2848
16 C1x C 22.9593 -19.2226
17 C1a C 24.1447 -18.5516
18 C1b C 30.1666 -15.0642
19 C1a C 27.8062 -15.0526
20 C1x C 22.9593 -21.9793
21 C1x C 21.7855 -19.9066
22 C1b C 31.3346 -15.7483
23 C1y C 21.7855 -21.2848
24 C5a C 32.5141 -15.0702
25 O1a O 20.6047 -21.9559
26 O5a O 32.5141 -13.7094
27 N1b N 33.6924 -15.7500
28 C1b C 34.9049 -15.0500
29 C1b C 36.1173 -15.7500
30 S4a S 37.3297 -15.0500
31 O1d O 37.3297 -13.6500
32 O1d O 37.3297 -16.4500
33 O1d O 38.7297 -15.0500
BOND 36
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 3 9 1 #Up
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 7 14 1
14 11 15 1
15 11 16 1
16 11 17 1 #Up
17 14 18 1
18 14 19 1 #Down
19 15 20 1
20 16 21 1
21 18 22 1
22 20 23 1
23 22 24 1
24 23 25 1 #Down
25 24 26 2
26 7 10 1
27 8 12 1
28 13 15 1
29 21 23 1
30 24 27 1
31 27 28 1
32 28 29 1
33 29 30 1
34 30 31 2
35 30 32 2
36 30 33 1
|
|---|
