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CHEBI:186705 - 1alpha,25-dihydroxy-23-azavitamin D3

ChEBI IDCHEBI:186705
ChEBI Name1alpha,25-dihydroxy-23-azavitamin D3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H43NO3
Net Charge0
Average Mass417.634
Monoisotopic Mass417.32429
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CNCC(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
InChIInChI=1S/C26H43NO3/c1-17(15-27-16-25(3,4)30)22-10-11-23-19(7-6-12-26(22,23)5)8-9-20-13-21(28)14-24(29)18(20)2/h8-9,17,21-24,27-30H,2,6-7,10-16H2,1,3-5H3/b19-8+,20-9-/t17-,21-,22-,23+,24+,26-/m1/s1
InChIKeyKJDVMNDTGSVQOU-ZPURXJTESA-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)
1alpha,25-dihydroxy-23-azavitamin D3 (CHEBI:186705) is a vitamin D (CHEBI:27300)
IUPAC Name 
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2S)-1-[(2-hydroxy-2-methylpropyl)amino]propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Manual XrefsDatabases
7826262ChemSpider
LMST03020070LIPID MAPS
Registry NumbersSources
CAS:87407-70-3ChemIDplus