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CHEBI:81252 - Bitocholate

ChEBI IDCHEBI:81252
ChEBI NameBitocholate
Stars
DownloadsMolfile
FormulaC24H40O5
Net Charge0
Average Mass408.579
Monoisotopic Mass408.28757
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(C[C@H](O)[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)C[C@@H](O)C(=O)O)[C@@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C24H40O5/c1-13(10-20(26)22(28)29)17-6-7-18-16-5-4-14-11-15(25)8-9-23(14,2)19(16)12-21(27)24(17,18)3/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15-,16+,17-,18+,19+,20-,21+,23+,24-/m1/s1
InChIKeyJVQJVQQIJKFTBS-OIQRMTBLSA-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)
Bitocholate (CHEBI:81252) is a bile acid (CHEBI:3098)
Synonym  Source
Bitocholic acidKEGG COMPOUND
Manual XrefsDatabases
C17657KEGG COMPOUND