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CHEBI:178546 - 1alpha,25-dihydroxy-24a,24b-dihomo-23-oxa-20-epivitamin D3 / 1alpha,25-dihydroxy-24a,24b-dihomo-23-oxa-20-epicholecalciferol

ChEBI IDCHEBI:178546
ChEBI Name1alpha,25-dihydroxy-24a,24b-dihomo-23-oxa-20-epivitamin D3 / 1alpha,25-dihydroxy-24a,24b-dihomo-23-oxa-20-epicholecalciferol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O4
Net Charge0
Average Mass446.672
Monoisotopic Mass446.33961
SMILES[H][C@@]12CC[C@]([H])([C@@H](C)COCCCC(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(18-32-15-7-13-27(3,4)31)24-11-12-25-21(8-6-14-28(24,25)5)9-10-22-16-23(29)17-26(30)20(22)2/h9-10,19,23-26,29-31H,2,6-8,11-18H2,1,3-5H3/b21-9+,22-10-/t19-,23+,24+,25-,26-,28+/m0/s1
InChIKeyAXZXYLZESSVCIQ-VFXFBGGWSA-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-23-oxa-20-epivitamin D3 / 1alpha,25-dihydroxy-24a,24b-dihomo-23-oxa-20-epicholecalciferol (CHEBI:178546) is a vitamin D (CHEBI:27300)
IUPAC Name 
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-1-(4-hydroxy-4-methylpentoxy)propan-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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