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CHEBI:139135 - 6,7-diketolithocholic acid

ChEBI IDCHEBI:139135
ChEBI Name6,7-diketolithocholic acid
Stars
Last Modified22 November 2017
Submittermwilliams
DownloadsMolfile
FormulaC24H36O5
Net Charge0
Average Mass404.547
Monoisotopic Mass404.25627
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCC(=O)O)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@@H](O)C[C@@]3([H])C(=O)C(=O)[C@@]21[H]
InChIInChI=1S/C24H36O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20,25H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,23-,24-/m1/s1
InChIKeyFRIRHJVKXFYECW-ZTERCDMUSA-N
ChEBI Ontology
Outgoing Relation(s)
6,7-diketolithocholic acid (CHEBI:139135) is a oxo-5β-cholanic acid (CHEBI:25753)
Manual XrefsDatabases
21403088ChemSpider