Glycocholic acid (Compound)
Go to Compound classification| ID | 1835 |
|---|---|
| Name | Glycocholic acid |
| Synonyms | N-(3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanoyl)-glycine; Glycocholate; Cholylglycine |
| Structure |  |
| Description | Glycine conjugate of cholic acid. |
| Classification | Compounds > Chemical entities > Organic compounds > Lipids and lipid-like molecules > Steroids and steroid derivatives > Bile acids, alcohols and derivatives > Glycinated bile acids and derivatives |
| CAS number | 475-31-0 |
| PubChem ID | 10140 |
| ChEBI ID | 17687 |
| FooDB ID | FDB012346 |
| HMDB ID | HMDB0000138 |
Chemical data
MolDBi data
| IUPAC Name | 2-[(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]acetic acid |
|---|---|
| Traditional IUPAC Name | [(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]acetic acid |
| Formula | C26H43NO6 |
| InChI | InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1 |
| InChI Key | RFDAIACWWDREDC-FRVQLJSFSA-N |
| Molecular weight | 465.6227 |
| Exact mass | 465.309038113 |
| SMILES | C[C@H](CCC(O)=NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |
ClassyFire Taxonomy
| Description | belongs to the class of organic compounds known as glycinated bile acids and derivatives. Glycinated bile acids and derivatives are compounds with a structure characterized by the presence of a glycine linked to a bile acid skeleton. |
|---|---|
| Kingdom | Organic compounds |
| Super Class | Lipids and lipid-like molecules |
| Class | Steroids and steroid derivatives |
| Sub Class | Bile acids, alcohols and derivatives |
| Direct Parent | Glycinated bile acids and derivatives |
| Alternative Parents |
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