CHEBI:138876 - Cygnocholic acid

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ChEBI Name Cygnocholic acid
ChEBI ID CHEBI:138876
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H40O5
Net Charge 0
Average Mass 408.572
Monoisotopic Mass 408.28757
InChI InChI=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
InChIKey KAOKDEFHEADBNL-BLLLHDCFSA-N
SMILES [C@@]12([C@]3([C@@]([C@@]([C@@H](CCC(O)=O)C)(C[C@@H]3O)[H])(CC[C@@]1([C@@]4([C@@](C[C@H](O)CC4)(C[C@H]2O)[H])C)[H])C)[H])[H]
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Cygnocholic acid (CHEBI:138876) is a bile acid (CHEBI:3098)
Synonym Source
3alpha,7alpha,15alpha-Trihydroxy-5beta-cholan-24-oic acid KEGG COMPOUND
Manual Xref Database
C20868 KEGG COMPOUND
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Last Modified
26 October 2017