CHEBI:178728 - (24S,25R)-25,26-epoxy-1alpha,24-dihydroxy-27-norvitamin D3 / (24S,25R)-25,26-epoxy-1alpha,24-dihydroxy-27-norcholecalciferol

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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 (24S,25R)-25,26-epoxy-1alpha,24-dihydroxy-27-norvitamin D3 / (24S,25R)-25,26-epoxy-1alpha,24-dihydroxy-27-norcholecalciferol
ChEBI ID CHEBI:178728
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H40O4
Net Charge 0
Average Mass 416.602
Monoisotopic Mass 416.29266
InChI InChI=1S/C26H40O4/c1-16(6-11-23(28)25-15-30-25)21-9-10-22-18(5-4-12-26(21,22)3)7-8-19-13-20(27)14-24(29)17(19)2/h7-8,16,20-25,27-29H,2,4-6,9-15H2,1,3H3/b18-7+,19-8-/t16-,20-,21-,22+,23+,24+,25?,26-/m1/s1
InChIKey CKMUTKJMMMBQHA-ASSMWGRUSA-N
SMILES O1C([C@@H](O)CC[C@H]([C@@]2([C@@]3([C@@](CC2)(/C(/CCC3)=C/C=C\4/C[C@@H](O)C[C@H](O)C4=C)[H])C)[H])C)C1
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 )
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ChEBI Ontology
Outgoing (24S,25R)-25,26-epoxy-1alpha,24-dihydroxy-27-norvitamin D3 / (24S,25R)-25,26-epoxy-1alpha,24-dihydroxy-27-norcholecalciferol (CHEBI:178728) is a vitamin D (CHEBI:27300)
IUPAC Name
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-5-hydroxy-5-(oxiran-2-yl)pentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Manual Xrefs Databases
7826238 ChemSpider
LMST03020038 LIPID MAPS
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