RefMet Compound Details

MW structure36974 (View MW Metabolite Database details)
RefMet nameGlycocholic acid
Systematic nameN-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)-glycine
Canonical SMILESC[C@@H](CCC(=O)NCC(O)=O)[C@@H]1CC[C@@H]2[C@@H]3[C@@H](C[C@@H](O)[C@]21C)[C@]1(C)CC[C@H](O)C[C@@H]1C[C@@H]3O
Exact mass465.3090View other entries in RefMet with this exact mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC26H43NO6View other entries in RefMet with this formula
InChIInChI=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
InChIKeyRFDAIACWWDREDC-FRVQLJSFSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassSterol Lipids
Main ClassBile acids
Sub classC24 bile acids
Pubchem CID10140

Table of KEGG reactions in human pathways involving Glycocholic acid

Rxn IDKEGG ReactionEnzyme
R03718 Choloyl-CoA + Glycine <=> CoA + GlycocholateCholoyl-CoA:glycine N-choloyltransferase

Table of KEGG human pathways containing Glycocholic acid

Pathway IDHuman Pathway# of reactions
hsa00120 Primary bile acid biosynthesis 1
  logo