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CHEBI:186947 - (22S)-22,25-dihydroxyvitamin D3

ChEBI IDCHEBI:186947
ChEBI Name(22S)-22,25-dihydroxyvitamin D3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H44O3
Net Charge0
Average Mass416.646
Monoisotopic Mass416.32905
SMILES[H][C@@]12CC[C@]([H])([C@H](C)C(O)CCC(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1\C[C@H](O)CCC1=C
InChIInChI=1S/C27H44O3/c1-18-8-11-22(28)17-21(18)10-9-20-7-6-15-27(5)23(12-13-24(20)27)19(2)25(29)14-16-26(3,4)30/h9-10,19,22-25,28-30H,1,6-8,11-17H2,2-5H3/b20-9+,21-10-/t19-,22+,23+,24-,25?,27+/m0/s1
InChIKeyCJLCEMXSNQNVPU-LSODONFWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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)
(22S)-22,25-dihydroxyvitamin D3 (CHEBI:186947) is a vitamin D (CHEBI:27300)
IUPAC Name 
(6S)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,5-diol
Manual XrefsDatabases
4943988ChemSpider
Registry NumbersSources
CAS:81446-12-0ChemIDplus