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CHEBI:185850 - 3alpha,7alpha,12alpha-Trihydroxy-24-nor-5beta-cholan-23-al

ChEBI IDCHEBI:185850
ChEBI Name3alpha,7alpha,12alpha-Trihydroxy-24-nor-5beta-cholan-23-al
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])C[C@H](O)[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CC=O)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C23H38O4/c1-13(7-9-24)16-4-5-17-21-18(12-20(27)23(16,17)3)22(2)8-6-15(25)10-14(22)11-19(21)26/h9,13-21,25-27H,4-8,10-12H2,1-3H3/t13-,14+,15-,16-,17+,18+,19-,20+,21+,22+,23-/m1/s1
InChIKeySKDHOFYKSFRFMA-ZTSBSJDLSA-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)
3alpha,7alpha,12alpha-Trihydroxy-24-nor-5beta-cholan-23-al (CHEBI:185850) is a bile acid (CHEBI:3098)
IUPAC Name 
(3R)-3-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-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]butanal
Manual XrefsDatabases
LMST04060002LIPID MAPS
7826645ChemSpider