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CHEBI:37998 - glycolithocholic acid
| Formula | C26H43NO4 |
| Net Charge | 0 |
| Average Mass | 433.633 |
| Monoisotopic Mass | 433.31921 |
| SMILES | [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(=O)NCC(=O)O)[C@@]1(C)CC[C@@H](O)C2 |
| InChI | InChI=1S/C26H43NO4/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31)/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1 |
| InChIKey | XBSQTYHEGZTYJE-OETIFKLTSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| glycolithocholic acid (CHEBI:37998) has functional parent lithocholic acid (CHEBI:16325) |
| glycolithocholic acid (CHEBI:37998) is a N-acylglycine (CHEBI:16180) |
| glycolithocholic acid (CHEBI:37998) is a bile acid glycine conjugate (CHEBI:36255) |
| glycolithocholic acid (CHEBI:37998) is conjugate acid of glycolithocholate (CHEBI:60008) |
| Incoming Relation(s) |
| 7-oxoglycolithocholic acid (CHEBI:138391) has functional parent glycolithocholic acid (CHEBI:37998) |
| sulfoglycolithocholic acid (CHEBI:9347) has functional parent glycolithocholic acid (CHEBI:37998) |
| glycolithocholate (CHEBI:60008) is conjugate base of glycolithocholic acid (CHEBI:37998) |
| IUPAC Name |
|---|
| N-(3α-hydroxy-5β-cholan-24-oyl)glycine |
| Synonyms | Source |
|---|---|
| Glycolithocholate | KEGG COMPOUND |
| Lithocholylglycine | ChemIDplus |
| Lithocholic acid glycine conjugate | ChemIDplus |
| N-((3-alpha,5-beta)-3-Hydroxy-24-oxocholan-24-yl)glycine | ChemIDplus |
| Glycolithocholic acid | KEGG COMPOUND |