CHEBI:139132 - 23-nordeoxycholic acid

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ChEBI Name 23-nordeoxycholic acid
ChEBI ID CHEBI:139132
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H38O4
Net Charge 0
Average Mass 378.546
Monoisotopic Mass 378.27701
InChI InChI=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
InChIKey PLRQOCVIINWCFA-AHFDLSHQSA-N
SMILES O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](CC3)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](CC(O)=O)C)[H])[H])C
ChEBI Ontology
Outgoing 23-nordeoxycholic acid (CHEBI:139132) is a cholanoid (CHEBI:36078)
Manual Xref Database
168272168272 ChemSpider
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Last Modified
22 November 2017