(Q27116762)

N-choloyl-taurine (English)

6 October 2016

0 references

C₂₆H₄₄NO₇S⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

1 reference

N-choloyl-taurine (English)

6 October 2016

isomeric SMILES

C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C

1 reference

https://reactome.org/PathwayBrowser/#/R-HSA-1430728&DTAB=MT

N-choloyl-taurine (English)

6 October 2016

1 reference

Identifiers

InChI

InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1

1 reference

N-choloyl-taurine (English)

WBWWGRHZICKQGZ-HZAMXZRMSA-M

6 October 2016

InChIKey

2 references

N-choloyl-taurine (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

2-{[(3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxy-24-oxocholan-24-yl]amino}ethanesulfonatato (English)

6 October 2016

1 reference

N-choloyl-taurine (English)

6 October 2016

Reaxys registry number

3919947

1 reference

taurocholate (English)

6 October 2016

ChEBI ID

36257

mapping relation type

1 reference

https://www.swisslipids.org/#/downloads

taurocholate (English)

6 October 2016

1 reference

1 reference