CHEBI:183032 - (24R)-6,19-epidioxy-1,24-dihydroxy-6,19-dihydrovitamin D3 / (24R)-6,19-epidioxy-1,24-di hydroxy-6,19-dihydrocholecalciferol

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 (24R)-6,19-epidioxy-1,24-dihydroxy-6,19-dihydrovitamin D3 / (24R)-6,19-epidioxy-1,24-di hydroxy-6,19-dihydrocholecalciferol
ChEBI ID CHEBI:183032
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H44O5
Net Charge 0
Average Mass 448.644
Monoisotopic Mass 448.31887
InChI InChI=1S/C27H44O5/c1-16(2)10-19(28)11-17(3)23-7-8-24-18(6-5-9-27(23,24)4)12-26-21-13-20(29)14-25(30)22(21)15-31-32-26/h12,16-17,19-20,23-26,28-30H,5-11,13-15H2,1-4H3/b18-12+/t17-,19-,20-,23-,24+,25+,26?,27-/m1/s1
InChIKey DKYWDJRYWSGSCA-HDINTAEKSA-N
SMILES O[C@@H](C[C@H]([C@@]1([C@@]2([C@@](CC1)(/C(/CCC2)=C/C3OOCC4=C3C[C@@H](O)C[C@@H]4O)[H])C)[H])C)CC(C)C
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in Esophagus (BTO:0000959). 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 (24R)-6,19-epidioxy-1,24-dihydroxy-6,19-dihydrovitamin D3 / (24R)-6,19-epidioxy-1,24-di hydroxy-6,19-dihydrocholecalciferol (CHEBI:183032) is a vitamin D (CHEBI:27300)
IUPAC Name
(5S,7R)-1-[(E)-[(1R,3aS,7aR)-1-[(2R,4R)-4-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-1,4,5,6,7,8-hexahydro-2,3-benzodioxine-5,7-diol
Manual Xrefs Databases
7826391 ChemSpider
LMST03020301 LIPID MAPS
View more database links