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CHEBI:81245 - Vulpecholate

ChEBI IDCHEBI:81245
ChEBI NameVulpecholate
Stars
DownloadsMolfile
FormulaC24H40O5
Net Charge0
Average Mass408.579
Monoisotopic Mass408.28757
SMILES[H][C@@]12C[C@H](O)C[C@H](O)[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)O)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(8-9-23(16,17)2)24(3)14(11-19(22)26)10-15(25)12-20(24)27/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15+,16-,17+,18+,19-,20+,22+,23-,24+/m1/s1
InChIKeyGYUVAHWOVINGNE-RMVWDZDYSA-N
ChEBI Ontology
Outgoing Relation(s)
Vulpecholate (CHEBI:81245) is a cholanoid (CHEBI:36078)
Synonyms  Source
Vulpecholic acidKEGG COMPOUND
1alpha,3alpha,7alpha-Trihydroxy-5beta-cholan-24-oic acidKEGG COMPOUND
Manual XrefsDatabases
C17650KEGG COMPOUND
Registry NumbersSources
CAS:107368-95-6KEGG COMPOUND