CHEBI:191268 - (22E)-(24R,25R)-25,26-epoxy-1alpha,24-dihydroxy-22,23-didehydrovitamin D3

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ChEBI Name (22E)-(24R,25R)-25,26-epoxy-1alpha,24-dihydroxy-22,23-didehydrovitamin D3
ChEBI ID CHEBI:191268
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H40O4
Net Charge 0
Average Mass 428.613
Monoisotopic Mass 428.29266
InChI InChI=1S/C27H40O4/c1-17(7-12-25(30)27(4)16-31-27)22-10-11-23-19(6-5-13-26(22,23)3)8-9-20-14-21(28)15-24(29)18(20)2/h7-9,12,17,21-25,28-30H,2,5-6,10-11,13-16H2,1,3-4H3/b12-7+,19-8+,20-9-/t17-,21-,22-,23+,24+,25-,26-,27-/m1/s1
InChIKey BHERBPSRYGFACH-YFVIFBBESA-N
SMILES O1[C@@]([C@H](O)\C=C\[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)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in hTERT-RPE1 cell (BTO:0004790). 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 )
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ChEBI Ontology
Outgoing (22E)-(24R,25R)-25,26-epoxy-1alpha,24-dihydroxy-22,23-didehydrovitamin D3 (CHEBI:191268) is a vitamin D (CHEBI:27300)
IUPAC Name
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5-hydroxy-5-[(2R)-2-methyloxiran-2-yl]pent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
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7826305 ChemSpider
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