Identification Common Name alpha-Muricholic acid Class Small Molecule Description Contaminant Sources Contaminant Type Not Available Chemical Structure Synonyms Value Source a-Muricholate Generator a-Muricholic acid Generator alpha-Muricholate Generator Α-muricholate Generator Α-muricholic acid Generator 3a,6b,7a-Trihydroxy-5b-cholan-24-Oate HMDB 3a,6b,7a-Trihydroxy-5b-cholan-24-Oic acid HMDB 3a,6b,7a-Trihydroxy-5b-cholanate HMDB 3a,6b,7a-Trihydroxy-5b-cholanic acid HMDB 5b-Cholanic acid-3a,6b,7a-triol HMDB (4R)-4-[(1S,2R,5R,7R,8S,9S,10S,11S,15R)-5,8,9-Trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanoate HMDB
Chemical Formula C24 H40 O5 Average Molecular Mass 408.571 g/mol Monoisotopic Mass 408.288 g/mol CAS Registry Number 2393-58-0 IUPAC Name (4R)-4-[(1S,2R,5R,7R,8S,9S,10S,11S,15R)-5,8,9-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanoic acid Traditional Name (4R)-4-[(1S,2R,5R,7R,8S,9S,10S,11S,15R)-5,8,9-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanoic acid SMILES [H][C@@]12CCC([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)[C@@H](O)[C@]2([H])C[C@H](O)CC[C@]12C InChI Identifier InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15?,16+,17+,18+,20+,21+,22+,23-,24-/m1/s1 InChI Key DKPMWHFRUGMUKF-LPMPYYIQSA-N Chemical Taxonomy Description belongs to the class of organic compounds known as trihydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears three hydroxyl groups. Kingdom Organic compounds Super Class Lipids and lipid-like molecules Class Steroids and steroid derivatives Sub Class Bile acids, alcohols and derivatives Direct Parent Trihydroxy bile acids, alcohols and derivatives Alternative Parents Substituents Trihydroxy bile acid, alcohol, or derivatives
3-hydroxysteroid
6-hydroxysteroid
7-hydroxysteroid
3-alpha-hydroxysteroid
Hydroxysteroid
Cyclic alcohol
Secondary alcohol
Carboxylic acid derivative
Carboxylic acid
Polyol
Monocarboxylic acid or derivatives
Organic oxide
Alcohol
Organic oxygen compound
Hydrocarbon derivative
Carbonyl group
Organooxygen compound
Aliphatic homopolycyclic compound Molecular Framework Aliphatic homopolycyclic compounds External Descriptors Not Available 
