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CHEBI:167444 - 1,24(S)-dihydroxyvitamin D2

ChEBI IDCHEBI:167444
ChEBI Name1,24(S)-dihydroxyvitamin D2
Stars
DefinitionMetabolite of vitamin D2. It present in the circulation of humans, cows, and rats given pharmacologic doses of vitamin D2
SubmitterR. Stephan
DownloadsMolfile
FormulaC28H44O3
Net Charge0
Average Mass428.657
Monoisotopic Mass428.32905
SMILESC=C1/C(=C\C=C2/CCC[C@@]3(C)C2CC[C@@H]3[C@H](C)/C=C/[C@@](C)(O)C(C)C)C[C@@H](O)C[C@@H]1O
InChIInChI=1S/C28H44O3/c1-18(2)28(6,31)15-13-19(3)24-11-12-25-21(8-7-14-27(24,25)5)9-10-22-16-23(29)17-26(30)20(22)4/h9-10,13,15,18-19,23-26,29-31H,4,7-8,11-12,14,16-17H2,1-3,5-6H3/b15-13+,21-9+,22-10-/t19-,23-,24-,25?,26+,27-,28-/m1/s1
InChIKeyODZFJAXAEXQSKL-USTMCHFFSA-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)
1,24(S)-dihydroxyvitamin D2 (CHEBI:167444) is a vitamin D (CHEBI:27300)
IUPAC Name 
(1R,3S,5Z)-5-[(2E)-2-[(1R,7aR)-1-[(E,2R,5S)-5-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Synonym  Source
1,24(S)-(OH)2D2SUBMITTER
Citations