CHEBI:81252 - Bitocholate

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ChEBI Name Bitocholate
ChEBI ID CHEBI:81252
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H40O5
Net Charge 0
Average Mass 408.57140
Monoisotopic Mass 408.28757
InChI InChI=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
InChIKey JVQJVQQIJKFTBS-OIQRMTBLSA-N
SMILES C[C@H](C[C@@H](O)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Bitocholate (CHEBI:81252) is a bile acid (CHEBI:3098)
Synonym Source
Bitocholic acid KEGG COMPOUND
Manual Xref Database
C17657 KEGG COMPOUND
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