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CHEBI:81262 - Haemulcholate

ChEBI IDCHEBI:81262
ChEBI NameHaemulcholate
Stars
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])(CC[C@]3([H])[C@H](C)[C@@H](O)CC(=O)O)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C24H40O5/c1-13(19(26)12-21(28)29)16-4-5-17-22-18(7-9-24(16,17)3)23(2)8-6-15(25)10-14(23)11-20(22)27/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15+,16+,17-,18-,19-,20+,22-,23-,24+/m0/s1
InChIKeyIPSHXEXQGICLQN-KLRYQPFDSA-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)
Haemulcholate (CHEBI:81262) is a bile acid (CHEBI:3098)
Synonyms  Source
Hemulcholic acidKEGG COMPOUND
3alpha,7alpha,22-Trihydroxy-5beta-cholan-24-oic acidKEGG COMPOUND
Manual XrefsDatabases
C17668KEGG COMPOUND
Registry NumbersSources
CAS:14959-83-2KEGG COMPOUND