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CHEBI:186962 - Norhyocholic acid

ChEBI IDCHEBI:186962
ChEBI NameNorhyocholic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H38O5
Net Charge0
Average Mass394.552
Monoisotopic Mass394.27192
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CC(=O)O)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@@H](O)C[C@@]3([H])[C@@H](O)[C@@H](O)[C@@]21[H]
InChIInChI=1S/C23H38O5/c1-12(10-18(25)26)14-4-5-15-19-16(7-9-22(14,15)2)23(3)8-6-13(24)11-17(23)20(27)21(19)28/h12-17,19-21,24,27-28H,4-11H2,1-3H3,(H,25,26)/t12-,13-,14-,15+,16+,17+,19+,20-,21+,22-,23-/m1/s1
InChIKeyMKGBMQFRNGPURO-BUVMNCMJSA-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)
Norhyocholic acid (CHEBI:186962) is a bile acid (CHEBI:3098)
IUPAC Name 
(3R)-3-[(3R,5R,6R,7S,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-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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LMST04060022LIPID MAPS
113385550ChemSpider