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CHEBI:138876 - Cygnocholic acid

ChEBI IDCHEBI:138876
ChEBI NameCygnocholic acid
Stars
Last Modified26 October 2017
Submittermwilliams
DownloadsMolfile
FormulaC24H40O5
Net Charge0
Average Mass408.579
Monoisotopic Mass408.28757
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])([C@@H](O)C[C@]3([H])[C@H](C)CCC(=O)O)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C24H40O5/c1-13(4-5-20(28)29)17-12-19(27)22-21-16(7-9-24(17,22)3)23(2)8-6-15(25)10-14(23)11-18(21)26/h13-19,21-22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16+,17-,18-,19+,21+,22+,23+,24-/m1/s1
InChIKeyKAOKDEFHEADBNL-BLLLHDCFSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Cygnocholic acid (CHEBI:138876) is a bile acid (CHEBI:3098)
Synonym  Source
3alpha,7alpha,15alpha-Trihydroxy-5beta-cholan-24-oic acidKEGG COMPOUND
Manual XrefsDatabases
C20868KEGG COMPOUND