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CHEBI:177017 - Norchenodeoxycholic acid

ChEBI IDCHEBI:177017
ChEBI NameNorchenodeoxycholic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H38O4
Net Charge0
Average Mass378.553
Monoisotopic Mass378.27701
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CC(=O)O)[C@]1([H])[C@H](O)C2
InChIInChI=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
InChIKeyQYYDXDSPYPOWRO-AYTZMJRQSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
8105308ChemSpider
LMST04060018LIPID MAPS
Registry NumbersSources
CAS:86386-61-0ChemIDplus