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CHEBI:187585 - 3-Deoxy-3-azido-25-hydroxyvitamin D3

ChEBI IDCHEBI:187585
ChEBI Name3-Deoxy-3-azido-25-hydroxyvitamin D3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H43N3O
Net Charge0
Average Mass425.661
Monoisotopic Mass425.34061
SMILES[H][C@@]12CC[C@@]([H])([C@H](C)CCCC(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1\C[C@H](N=[N+]=[N-])CCC1=C
InChIInChI=1S/C27H43N3O/c1-19-10-13-23(29-30-28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)31/h11-12,20,23-25,31H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23-,24+,25+,27-/m1/s1
InChIKeyXSCCVONAMAFUQP-LQHRJJHOSA-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)
3-Deoxy-3-azido-25-hydroxyvitamin D3 (CHEBI:187585) is a vitamin D (CHEBI:27300)
IUPAC Name 
(6R)-6-[(1S,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-azido-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol
Manual XrefsDatabases
4943594ChemSpider
Registry NumbersSources
CAS:108345-00-2ChemIDplus