Chenodeoxycholic Acid

Chenodeoxycholic Acid bmse000908 - Data bmse001132 - Data

Chenodeoxycholic_acid synonyms

Anthropodesoxycholic acid; 7-alpha-Hydroxylithocholic acid; Cholan-24-oic acid, 3,7-dihydroxy-, (3alpha,5beta,7alpha)-; Cholan-24-oic acid, 3,7-dihydroxy-, (3-alpha,5-beta,7-alpha)- (9CI); Acide chenodeoxycholique [INN-French]; Chenix; Anthropododesoxycholic acid; Chenodiol; Cholan-24-oic acid, 3,7-dihydroxy-, (3-alpha,5-beta,7-alpha)-; Acidum chenodeoxycholicum [INN-Latin]; Sodium Chenodeoxycholate

Wikipedia:

Graphical representations:

chenodeoxycholic_acid

View large 3D structure

Molecular Formula: C24H40O4

Natural Isotopic Abundance Mass: 392.572

Mono-Isotopic Molecular Masses:

  • C12N14: 392.2926597724
  • C13N14: 416.3731758796
  • C12N15: 392.2926597724
  • C13N15: 416.3731758796

InChI string: InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1

PubChem Compound (CID): 10133
CAS Registry number: 474-25-9
MMCD: cq_01560
MDL number: MFCD00064142
Beilstein Registry Number: 3219887
CAS Registry number: 474-25-9
ChEBI: CHEBI:16755
LeadScope: LS-7259
EINECS: 207-481-8
CCRIS: 2195
LipidMAPS: LMST04010032
KEGG Compound ID: D00163
ChemIDplus: 000474259

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)