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7,12-dioxolithocholic acid

Go to external page http://purl.obolibrary.org/obo/CHEBI_138389

A bile acid that is lithocholic acid carrying two additional oxo substituents at positions 7 and 12.

Term info

Label

7,12-dioxolithocholic acid

Synonyms
  • 3alpha-hydroxy-7,12-dioxo-5beta-cholan-24-oic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
3alpha-hydroxy-7,12-dioxo-5beta-cholan-24-oic acid [ IUPAC ]

charge

0

formula

C24H36O5

has obo namespace

chebi_ontology

has related synonym

3-Hydroxy-7,12-diketocholanoic acid, 3alpha-Hydroxy-7,12-diketo-5beta-cholanoic acid, (3alpha,5beta)-3-hydroxy-7,12-dioxocholan-24-oic acid, 7,12-diketolithocholic acid

id

CHEBI:138389

inchi

InChI=1S/C24H36O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-18,22,25H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,22+,23+,24-/m1/s1

inchikey

MAFJMPFLJJCSTB-FQBQTYDJSA-N

mass

404.541

monoisotopicmass

404.25627

smiles

C1[C@@]2([C@]3(CC([C@]4([C@]([C@@]3(C(C[C@@]2(C[C@@H](C1)O)[H])=O)[H])(CC[C@@]4([C@@H](CCC(O)=O)C)[H])[H])C)=O)[H])C