Lithocholic Acid
Lithocholic_acid synonyms
3alpha-Hydroxy-5beta-cholanic acid; 5-beta-Cholanic acid, 3-alpha-hydroxy-; 3alpha-Hydroxy-5beta-cholan-24-oic acid; 3-alpha-Hydroxy-5-beta-cholanic acid; (3alpha,5beta)-3-hydroxycholan-24-oic acid; 5-beta-Cholan-24-oic acid, 3-alpha-hydroxy-; 17beta-(1-Methyl-3-carboxypropyl)etiocholan-3alpha-ol; 17-beta-(1-Methyl-3-carboxypropyl)ethiocholan-3-alpha-ol; 3alpha-hydroxy-5beta-cholan-24-oic acid; 5beta-cholanic acid-3alpha-ol; 3alpha-Hydroxy-5beta-cholanate
Graphical representations:
View large 3D structure
Molecular Formula: C24H40O3
Natural Isotopic Abundance Mass: 376.5726
Mono-Isotopic Molecular Masses:
- C12N14: 376.2977451503
- C13N14: 400.3782612575
- C12N15: 376.2977451503
- C13N15: 400.3782612575
InChI string: InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1
PubChem Compound (CID): 9903CAS Registry number: 434-13-9
Sigma-Aldrich: L6250_SIGMA
ChEBI: CHEBI:16325
EPA DSSTox: 33611
LipidMAPS: LMST04010003
HSDB: 4113
ChemIDplus: 000434139
EINECS: 207-099-1
KEGG Compound ID: C03990
CCRIS: 363
Beilstein Handbook Reference: 4-10-00-00785
MMCD: cq_02342
MDL: MFCD00003682
PDB Compound ID: 4OA
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)