RefMet Compound Details
MW structure | 36747 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | 3alpha,7alpha-Dihydroxy-5beta-cholestanoic acid | |
Systematic name | (6R)-6-[(3R,5S,7R,10S,13R)-3,7-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]-2-methyl-heptanoic acid | |
SMILES | C[C@H](CCCC(C)C(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](C[C@H]1C[C@H]3O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Sum Composition | ST 27:1;O4 | View other entries in RefMet with this sum composition |
Exact mass | 434.339610 (neutral) |
Table of KEGG reactions in human pathways involving 3alpha,7alpha-Dihydroxy-5beta-cholestanoic acid
Rxn ID | KEGG Reaction | Enzyme |
---|---|---|
R08738 | 3alpha,7alpha-Dihydroxy-5beta-cholestanate + ATP + CoA <=> (25R)-3alpha,7alpha-Dihydroxy-5beta-cholestanoyl-CoA + AMP + Diphosphate | 3alpha,7alpha-dihydroxy-5beta-cholestanate:CoA ligase (AMP-forming) |
R08760 | 3alpha,7alpha-Dihydroxy-5beta-cholestan-26-al + Oxygen + 2 H+ + 2 Reduced adrenal ferredoxin <=> 3alpha,7alpha-Dihydroxy-5beta-cholestanate + H2O + 2 Oxidized adrenal ferredoxin | 3alpha,7alpha-Dihydroxy-5beta-cholestan-26-al + Oxygen + 2 H+ + 2 Reduced adrenal ferredoxin <=> 3alpha,7alpha-Dihydroxy-5beta-cholestanate + H2O + 2 Oxidized adrenal ferredoxin |
Table of KEGG human pathways containing 3alpha,7alpha-Dihydroxy-5beta-cholestanoic acid
Pathway ID | Human Pathway | # of reactions |
---|---|---|
hsa00120 | Primary bile acid biosynthesis | 2 |