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CHEBI:233653 - 12-dehydrodeoxycholate(1−)

ChEBI IDCHEBI:233653
ChEBI Name12-dehydrodeoxycholate(1−)
Stars
ASCII Name12-dehydrodeoxycholate(1-)
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC24H37O4
Net Charge-1
Average Mass389.556
Monoisotopic Mass389.26973
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC(=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/C24H38O4/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/h14-20,25H,4-13H2,1-3H3,(H,27,28)/p-1/t14-,15-,16-,17+,18-,19+,20+,23+,24-/m1/s1
InChIKeyCVNYHSDFZXHMMJ-VPUMZWJWSA-M
ChEBI Ontology
Outgoing Relation(s)
12-dehydrodeoxycholate(1−) (CHEBI:233653) is a bile acid anion (CHEBI:36235)
Synonym  Source
3α-hydroxy-12-oxo-5β-cholanateSUBMITTER
UniProt Name  Source
12-dehydrodeoxycholateUniProt
Manual XrefsDatabases
CPD-23247MetaCyc
Citations