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CHEBI:80817 - Dehydroeburicoic acid

ChEBI IDCHEBI:80817
ChEBI NameDehydroeburicoic acid
Stars
DownloadsMolfile
FormulaC31H48O3
Net Charge0
Average Mass468.722
Monoisotopic Mass468.36035
SMILES[H][C@@]12CC=C3C(=CC[C@@]4(C)[C@@]3(C)CC[C@]4([H])[C@@H](CCC(=C)C(C)C)C(=O)O)[C@@]1(C)CC[C@H](O)C2(C)C
InChIInChI=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
InChIKeyONFPYGOMAADWAT-OXUZYLMNSA-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)
Dehydroeburicoic acid (CHEBI:80817) is a bile acid (CHEBI:3098)
Synonym  Source
Dehydrotrametenolic acidKEGG COMPOUND
Manual XrefsDatabases
C16950KEGG COMPOUND