Structure database (LMSD)
| LM ID | LMST05040005 |
|---|---|
| Common Name | Taurochenodeoxycholic acid |
| Systematic Name | N-(3α,7α-dihydroxy-5β-cholan-24-oyl)-taurine |
| Synonyms | Taurochenodeoxycholate; 2-[(3a,7a-dihydroxy-24-oxo-5β-cholan-24-yl) amino]ethanesulfonate |
| Exact Mass | 499.30 |
| Formula | C26H45NO6S |
| Category | Sterol Lipids [ST] |
| Main Class | Steroid conjugates [ST05] |
| Sub Class | Taurine conjugates [ST0504] |
| PubChem Substance ID (SID) | 24702369 |
| METABOLOMICS ID | - |
| KEGG ID | C05465 |
| HMDB ID | HMDB00951 |
| CHEBI ID | 16525 |
| InChIKey | BHTRKEVKTKCXOH-BJLOMENOSA-N Show lipids differing only in stereochemistry/bond geometry |
| InChI | 1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20 )3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)( H,31,32,33)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1 |
| Status | Active |
| Add additional information for LMST05040005 (Restricted Access) | |
