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CHEBI:81242 - 12-Epideoxycholic acid

ChEBI IDCHEBI:81242
ChEBI Name12-Epideoxycholic acid
Stars
DownloadsMolfile
FormulaC24H40O4
Net Charge0
Average Mass392.580
Monoisotopic Mass392.29266
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)CCC(=O)O)[C@@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21-,23+,24-/m1/s1
InChIKeyKXGVEGMKQFWNSR-MFSKYVBHSA-N
ChEBI Ontology
Outgoing Relation(s)
12-Epideoxycholic acid (CHEBI:81242) is a cholanoid (CHEBI:36078)
Synonym  Source
12-EpideoxycholateKEGG COMPOUND
Manual XrefsDatabases
C17646KEGG COMPOUND
HMDB0000411HMDB