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CHEBI:178543 - 1alpha,25-dihydroxy-24a,24b-dihomo-22-oxa-20-epivitamin D3 / 1alpha,25-dihydroxy-24a,24b-dihomo-22-oxa-20-epicholecalciferol

ChEBI IDCHEBI:178543
ChEBI Name1alpha,25-dihydroxy-24a,24b-dihomo-22-oxa-20-epivitamin D3 / 1alpha,25-dihydroxy-24a,24b-dihomo-22-oxa-20-epicholecalciferol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O4
Net Charge0
Average Mass446.672
Monoisotopic Mass446.33961
SMILES[H][C@@]12CC[C@]([H])([C@@H](C)OCCCCC(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
InChIInChI=1S/C28H46O4/c1-19-22(17-23(29)18-26(19)30)11-10-21-9-8-15-28(5)24(12-13-25(21)28)20(2)32-16-7-6-14-27(3,4)31/h10-11,20,23-26,29-31H,1,6-9,12-18H2,2-5H3/b21-10+,22-11-/t20-,23-,24-,25+,26+,28-/m1/s1
InChIKeyMEJNJVYTSDEKIO-RZSWPJQSSA-N
Roles Classification
Biological Role:
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.
ChEBI Ontology
Outgoing Relation(s)
1alpha,25-dihydroxy-24a,24b-dihomo-22-oxa-20-epivitamin D3 / 1alpha,25-dihydroxy-24a,24b-dihomo-22-oxa-20-epicholecalciferol (CHEBI:178543) is a vitamin D (CHEBI:27300)
IUPAC Name 
(1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1R)-1-(5-hydroxy-5-methylhexoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Manual XrefsDatabases
LMST03020382LIPID MAPS
7826434ChemSpider
Registry NumbersSources
CAS:132014-43-8ChemIDplus