N-((3alpha,5beta,6alpha)-3,6-dihydroxy-24-oxocholan-24-yl)-Glycine
[CAS# 13042-33-6]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Other amino acid derivatives
• Name: N-((3alpha,5beta,6alpha)-3,6-dihydroxy-24-oxocholan-24-yl)-Glycine
• Synonyms: 2-[[(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-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]-1-Oxopentyl]Amino]Acetic Acid; 2-[[(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-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]Ethanoic Acid; Glycine, N-((3Alpha,5Beta,6Alpha)-3,6-Dihydroxy-24-Oxocholan-24-Yl)-
• Molecular Formula: C₂₆H₄₃NO₅
• Molecular Weight: 449.63
• CAS Registry Number: 13042-33-6
• SMILES: [C@]34([C@@H]2[C@H]([C@@H]1CC[C@@H]([C@]1(CC2)C)[C@@H](CCC(NCC(=O)O)=O)C)C[C@@H]([C@@H]3C[C@@H](CC4)O)O)C
• InChI: 1S/C26H43NO5/c1-15(4-7-23(30)27-14-24(31)32)18-5-6-19-17-13-22(29)21-12-16(28)8-10-26(21,3)20(17)9-11-25(18,19)2/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17+,18-,19+,20+,21+,22+,25-,26-/m1/s1
• InChIKey: SPOIYSFQOFYOFZ-BRDORRHWSA-N