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CHEBI:139132 - 23-nordeoxycholic acid

ChEBI IDCHEBI:139132
ChEBI Name23-nordeoxycholic acid
Stars
Last Modified22 November 2017
Submittermwilliams
DownloadsMolfile
FormulaC23H38O4
Net Charge0
Average Mass378.553
Monoisotopic Mass378.27701
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)CC(=O)O)[C@@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C23H38O4/c1-13(10-21(26)27)17-6-7-18-16-5-4-14-11-15(24)8-9-22(14,2)19(16)12-20(25)23(17,18)3/h13-20,24-25H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17-,18+,19+,20+,22+,23-/m1/s1
InChIKeyPLRQOCVIINWCFA-AHFDLSHQSA-N
ChEBI Ontology
Outgoing Relation(s)
23-nordeoxycholic acid (CHEBI:139132) is a cholanoid (CHEBI:36078)
Manual XrefsDatabases
168272168272ChemSpider