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CHEBI:231225 - (24R)-24,25-Dihydroxyvitamin D2/(24R)-24,25-dihydroxyergocalciferol

ChEBI IDCHEBI:231225
ChEBI Name(24R)-24,25-Dihydroxyvitamin D2/(24R)-24,25-dihydroxyergocalciferol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O3
Net Charge0
Average Mass428.657
Monoisotopic Mass428.32905
SMILESC=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@@](C)(O)C(C)(C)O)CC[C@@H]12
InChIInChI=1S/C28H44O3/c1-19-9-12-23(29)18-22(19)11-10-21-8-7-16-27(5)24(13-14-25(21)27)20(2)15-17-28(6,31)26(3,4)30/h10-11,15,17,20,23-25,29-31H,1,7-9,12-14,16,18H2,2-6H3/b17-15+,21-10+,22-11-/t20-,23+,24-,25+,27-,28-/m1/s1
InChIKeyBPEQZNMKGFTMQE-LXHCYJFYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
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)-24,25-Dihydroxyvitamin D2/(24R)-24,25-dihydroxyergocalciferol (CHEBI:231225) is a vitamin D (CHEBI:27300)
IUPAC Name 
(E,3R,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,3-dimethylhept-4-ene-2,3-diol
Manual XrefsDatabases
7826191ChemSpider
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