RefMet Compound Details
MW structure | 34465 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | 3-beta-Hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-carboxylate | |
Systematic name | (1R,2R,5S,6S,7R,11R,15R)-5-hydroxy-2,6,15-trimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-ene-6-carboxylic acid | |
SMILES | CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4[C@](C)(CC[C@@H]([C@@]4(C)C(=O)O)O)[C@H]3CC[C@]12C Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Sum Composition | ST 29:2;O3 | View other entries in RefMet with this sum composition |
Exact mass | 444.360345 (neutral) |