| CAS Number | 863239-60-5 |
| Catalog Number | AG01CBF7(AGN-PC-0OK9IX) |
| Chemical Name | Glycine, N-[(3a,5b,6a,7a)-6-ethyl-3,7-dihydroxy-24-oxocholan-24-yl]- |
| IUPAC Name | 2-[[(4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid |
| InChI | InChI=1S/C28H47NO5/c1-5-18-22-14-17(30)10-12-28(22,4)21-11-13-27(3)19(7-8-20(27)25(21)26(18)34)16(2)6-9-23(31)29-15-24(32)33/h16-22,25-26,30,34H,5-15H2,1-4H3,(H,29,31)(H,32,33)/t16-,17-,18-,19-,20+,21+,22+,25+,26-,27-,28-/m1/s1 |
| InChI Key | MTLPUOZJBFHNSO-FCWTVGIUSA-N |
| MDL Number | MFCD14560554 |
| Molecular Formula | C28H47NO5 |
| Molecular Weight | 477.6765 |
| SMILES | CC[C@@H]1[C@]2([H])C[C@H](O)CC[C@]2(C)[C@]3([H])[C@@]([C@@](CC[C@]4([H])[C@@H](CCC(NCC(O)=O)=O)C)([H])[C@]4(C)CC3)([H])[C@@H]1O |
| UNII | O2MZK6V9LQ |
| Synonyms | UNII-O2MZK6V9LQ,
O2MZK6V9LQ,
Glyco-oca,
6-Egcdca,
Glycoobeticholic acid,
Glyco-obeticholic acid,
CHEMBL4072790,
SCHEMBL17734129,
Glycine, N-((3alpha,5beta,6alpha,7alpha)-6-ethyl-3,7-dihydroxy-24-oxocholan-24-yl)-,
863239-60-5,
CS-AI-00160,
Glycine obeticholate (Glycine 6-ethylchenodeoxycholate),
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