Cholic Acid
Cholic_acid synonyms
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate; (3alpha,5beta,7alpha,8x,12alpha)-3,7,12-trihydroxycholan-24-oic acid; 3alpha,7alpha,12alpha-trihydroxy-5beta-cholanic acid; CHD; Cholate; Cholic acid; Cholanic acid; Cholsaeure; Cholic Acid; (3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholan-24-oic acid; 3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oic acid
Graphical representations:
View large 3D structure
Molecular Formula: C24H40O5
Natural Isotopic Abundance Mass: 408.5714
Mono-Isotopic Molecular Masses:
- C12N14: 408.2875743945
- C13N14: 432.3680905017
- C12N15: 408.2875743945
- C13N15: 432.3680905017
InChI string: InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
PubChem Compound (CID): 221493CAS Registry number: 81-25-4
Sigma-Aldrich: C1129_SIGMA
ChEBI: CHEBI:16359
EPA DSSTox: 48710
MMDB: 74773.4
LipidMAPS: LMST04010001
KEGG Compound ID: C00695
MMCD: cq_00481
MDL: MFCD00003672
PDB Compound ID: CHD
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)