RefMet Compound Details

MW structure36974 (View MW Metabolite Database details)
RefMet nameGlycocholic acid
Systematic nameN-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)-glycine
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
Sum CompositionST 24:1;O5;G View other entries in RefMet with this sum composition
Exact mass465.309039 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) 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/h14-21,2
4,28-30H,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
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
Human quantitationView measurements in targeted assays on human samples

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
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