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CHEBI:178604 - (22E)-(24S)-1alpha,24,25-trihydroxy-22,23-didehydrovitamin D3 / (22E)-(24S)-1alpha,24,25-trihydroxy-22,23-didehydrocholecalciferol

ChEBI IDCHEBI:178604
ChEBI Name(22E)-(24S)-1alpha,24,25-trihydroxy-22,23-didehydrovitamin D3 / (22E)-(24S)-1alpha,24,25-trihydroxy-22,23-didehydrocholecalciferol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O4
Net Charge0
Average Mass430.629
Monoisotopic Mass430.30831
SMILES[H][C@@]12CC[C@]([H])([C@H](C)/C=C/[C@H](O)C(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
InChIInChI=1S/C27H42O4/c1-17(8-13-25(30)26(3,4)31)22-11-12-23-19(7-6-14-27(22,23)5)9-10-20-15-21(28)16-24(29)18(20)2/h8-10,13,17,21-25,28-31H,2,6-7,11-12,14-16H2,1,3-5H3/b13-8+,19-9+,20-10-/t17-,21-,22-,23+,24+,25+,27-/m1/s1
InChIKeyIALMJJYXOVCTDM-CPDHDOIESA-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)
(22E)-(24S)-1alpha,24,25-trihydroxy-22,23-didehydrovitamin D3 / (22E)-(24S)-1alpha,24,25-trihydroxy-22,23-didehydrocholecalciferol (CHEBI:178604) is a vitamin D (CHEBI:27300)
IUPAC Name 
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5,6-dihydroxy-6-methylhept-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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