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CHEBI:185557 - Norlithocholic acid

ChEBI IDCHEBI:185557
ChEBI NameNorlithocholic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H38O3
Net Charge0
Average Mass362.554
Monoisotopic Mass362.28210
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[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/C23H38O3/c1-14(12-21(25)26)18-6-7-19-17-5-4-15-13-16(24)8-10-22(15,2)20(17)9-11-23(18,19)3/h14-20,24H,4-13H2,1-3H3,(H,25,26)/t14-,15-,16-,17+,18-,19+,20+,22+,23-/m1/s1
InChIKeyBIGINLZPDKMEPQ-RLEVVIJMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Norlithocholic acid (CHEBI:185557) is a bile acid (CHEBI:3098)
IUPAC Name 
(3R)-3-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-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
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