CHEBI:177017 - Norchenodeoxycholic acid

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ChEBI Name Norchenodeoxycholic acid
ChEBI ID CHEBI:177017
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C23H38O4
Net Charge 0
Average Mass 378.553
Monoisotopic Mass 378.27701
InChI InChI=1S/C23H38O4/c1-13(10-20(26)27)16-4-5-17-21-18(7-9-23(16,17)3)22(2)8-6-15(24)11-14(22)12-19(21)25/h13-19,21,24-25H,4-12H2,1-3H3,(H,26,27)/t13-,14+,15-,16-,17+,18+,19-,21+,22+,23-/m1/s1
InChIKey QYYDXDSPYPOWRO-AYTZMJRQSA-N
SMILES O[C@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CC(O)=O)C)[H])(CC[C@@]2([C@@]4([C@](C1)(C[C@H](O)CC4)[H])C)[H])C)[H])[H]
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133).
ChEBI Ontology
Outgoing Norchenodeoxycholic acid (CHEBI:177017) is a carboxylic ester (CHEBI:33308)
IUPAC Name
(3R)-3-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid
Manual Xrefs Databases
8105308 ChemSpider
LMST04060018 LIPID MAPS
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Registry Number Type Source
86386-61-0 CAS Registry Number ChemIDplus