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CHEBI:178598 - (24R,25S)-25,26-epoxy-1alpha,24-dihydroxyvitamin D3 / (24R,25S)-25,26-epoxy-1alpha,24-dihydroxycholecalciferol

ChEBI IDCHEBI:178598
ChEBI Name(24R,25S)-25,26-epoxy-1alpha,24-dihydroxyvitamin D3 / (24R,25S)-25,26-epoxy-1alpha,24-dihydroxycholecalciferol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O4
Net Charge0
Average Mass430.629
Monoisotopic Mass430.30831
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CC[C@@H](O)[C@]3(C)CO3)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
InChIInChI=1S/C27H42O4/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/h8-9,17,21-25,28-30H,2,5-7,10-16H2,1,3-4H3/b19-8+,20-9-/t17-,21-,22-,23+,24+,25-,26-,27+/m1/s1
InChIKeyFMKUQGFLXWBDRU-GYKRDULBSA-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)
(24R,25S)-25,26-epoxy-1alpha,24-dihydroxyvitamin D3 / (24R,25S)-25,26-epoxy-1alpha,24-dihydroxycholecalciferol (CHEBI:178598) is a vitamin D (CHEBI:27300)
IUPAC Name 
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5-hydroxy-5-[(2S)-2-methyloxiran-2-yl]pentan-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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