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CHEBI:363227 - 6α,20ξ-murideoxycholic acid

ChEBI IDCHEBI:363227
ChEBI Name6α,20ξ-murideoxycholic acid
Stars
ASCII Name6alpha,20xi-murideoxycholic acid
DefinitionThe 6α,20ξ-stereoisomer of murideoxycholic acid.
Last Modified8 July 2014
DownloadsMolfile
FormulaC24H40O4
Net Charge0
Average Mass392.580
Monoisotopic Mass392.29266
SMILES[H][C@@]12C[C@H](O)[C@]3([H])C[C@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])C(C)CCC(=O)O
InChIInChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14?,15-,16+,17-,18+,19+,20+,21+,23-,24-/m1/s1
InChIKeyDGABKXLVXPYZII-LJESHCOTSA-N
ChEBI Ontology
Outgoing Relation(s)
6α,20ξ-murideoxycholic acid (CHEBI:363227) is a 3α-hydroxy steroid (CHEBI:36835)
6α,20ξ-murideoxycholic acid (CHEBI:363227) is a 6α-hydroxy steroid (CHEBI:36850)
Incoming Relation(s)
hyodeoxycholic acid (CHEBI:52023) is a 6α,20ξ-murideoxycholic acid (CHEBI:363227)
IUPAC Name 
3α,6α-dihydroxy-5β,20ξ-cholan-24-oic acid