CHEBI:173059 - (5E,7E)-(3S,22R)- 24-nor-9,10-seco-5,7,10(19)-cholatriene-3,22-diol

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 (5E,7E)-(3S,22R)- 24-nor-9,10-seco-5,7,10(19)-cholatriene-3,22-diol
ChEBI ID CHEBI:173059
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H36O2
Net Charge 0
Average Mass 344.539
Monoisotopic Mass 344.27153
InChI InChI=1S/C23H36O2/c1-15-7-10-20(25)14-19(15)9-8-18-6-5-13-23(4)21(11-12-22(18)23)16(2)17(3)24/h8-9,16-17,20-22,24-25H,1,5-7,10-14H2,2-4H3/b18-8+,19-9+/t16-,17-,20+,21-,22+,23-/m1/s1
InChIKey HPIRTWXNAZXKAX-BOJQAXGBSA-N
SMILES O[C@@H]([C@H]([C@@]1([C@@]2([C@@](CC1)(/C(/CCC2)=C/C=C/3\C[C@@H](O)CCC3=C)[H])C)[H])C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in brain (BTO:0000142). of strain C57BL/6J [EFO:0000606] See: MetaboLights Study
Roles Classification
Biological Role(s): fat-soluble vitamin (role)
Any vitamin that dissolves in fats and are stored in body tissues. Unlike the water-soluble vitamins, they are stored in the body for long periods of time and generally pose a greater risk for toxicity when consumed in excess.
(via vitamin D )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (5E,7E)-(3S,22R)- 24-nor-9,10-seco-5,7,10(19)-cholatriene-3,22-diol (CHEBI:173059) is a vitamin D (CHEBI:27300)
IUPAC Name
(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2S,3R)-3-hydroxybutan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Manual Xrefs Databases
7826217 ChemSpider
LMST03020017 LIPID MAPS
View more database links