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

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ChEBI Name 3alpha,7alpha,12alpha-Trihydroxy-24-nor-5beta-cholan-23-al
ChEBI ID CHEBI:185850
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H38O4
Net Charge 0
Average Mass 378.553
Monoisotopic Mass 378.27701
InChI InChI=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
InChIKey SKDHOFYKSFRFMA-ZTSBSJDLSA-N
SMILES O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](C[C@H]3O)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](CC=O)C)[H])[H])C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xrefs Databases
7826645 ChemSpider
LMST04060002 LIPID MAPS
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