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CHEBI:178550 - (24S)-1alpha,24-dihydroxy-26,27-dimethyl-22-oxavitamin D3 / (24S)-1alpha,24-dihydroxy-26,27-dimethyl-22-oxacholecalciferol

ChEBI IDCHEBI:178550
ChEBI Name(24S)-1alpha,24-dihydroxy-26,27-dimethyl-22-oxavitamin D3 / (24S)-1alpha,24-dihydroxy-26,27-dimethyl-22-oxacholecalciferol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O4
Net Charge0
Average Mass446.672
Monoisotopic Mass446.33961
SMILES[H][C@@]12CC[C@]([H])([C@H](C)OC[C@@H](O)C(CC)CC)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
InChIInChI=1S/C28H46O4/c1-6-20(7-2)27(31)17-32-19(4)24-12-13-25-21(9-8-14-28(24,25)5)10-11-22-15-23(29)16-26(30)18(22)3/h10-11,19-20,23-27,29-31H,3,6-9,12-17H2,1-2,4-5H3/b21-10+,22-11-/t19-,23+,24+,25-,26-,27+,28+/m0/s1
InChIKeyOZYSSKAEOAUHFU-HLZCVFOCSA-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)
(24S)-1alpha,24-dihydroxy-26,27-dimethyl-22-oxavitamin D3 / (24S)-1alpha,24-dihydroxy-26,27-dimethyl-22-oxacholecalciferol (CHEBI:178550) is a vitamin D (CHEBI:27300)
IUPAC Name 
(1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1S)-1-[(2S)-3-ethyl-2-hydroxypentoxy]ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
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