CHEBI:187219 - 24-Nor-5beta-cholane-3alpha,7alpha,23-triol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 24-Nor-5beta-cholane-3alpha,7alpha,23-triol
ChEBI ID CHEBI:187219
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H40O3
Net Charge 0
Average Mass 364.570
Monoisotopic Mass 364.29775
InChI InChI=1S/C23H40O3/c1-14(8-11-24)17-4-5-18-21-19(7-10-23(17,18)3)22(2)9-6-16(25)12-15(22)13-20(21)26/h14-21,24-26H,4-13H2,1-3H3/t14-,15+,16-,17-,18+,19+,20-,21+,22+,23-/m1/s1
InChIKey AQLBTYPFUGRFQI-VEPRGJRUSA-N
SMILES O[C@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CCO)C)[H])(CC[C@@]2([C@@]4([C@](C1)(C[C@H](O)CC4)[H])C)[H])C)[H])[H]
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 24-Nor-5beta-cholane-3alpha,7alpha,23-triol (CHEBI:187219) is a bile acid (CHEBI:3098)
IUPAC Name
(3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-4-hydroxybutan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Manual Xrefs Databases
4447392 ChemSpider
LMST04060009 LIPID MAPS
View more database links