CHEBI:80817 - Dehydroeburicoic acid

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ChEBI Name Dehydroeburicoic acid
ChEBI ID CHEBI:80817
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C31H48O3
Net Charge 0
Average Mass 468.71100
Monoisotopic Mass 468.36035
InChI InChI=1S/C31H48O3/c1-19(2)20(3)9-10-21(27(33)34)22-13-17-31(8)24-11-12-25-28(4,5)26(32)15-16-29(25,6)23(24)14-18-30(22,31)7/h11,14,19,21-22,25-26,32H,3,9-10,12-13,15-18H2,1-2,4-8H3,(H,33,34)/t21-,22-,25+,26+,29-,30-,31+/m1/s1
InChIKey ONFPYGOMAADWAT-OXUZYLMNSA-N
SMILES CC(C)C(=C)CC[C@H]([C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(O)=O
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 Dehydroeburicoic acid (CHEBI:80817) is a bile acid (CHEBI:3098)
Synonym Source
Dehydrotrametenolic acid KEGG COMPOUND
Manual Xref Database
C16950 KEGG COMPOUND
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