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CHEBI:47799 - calcitetrol

ChEBI IDCHEBI:47799
ChEBI Namecalcitetrol
Stars
Last Modified20 April 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC27H44O4
Net Charge0
Average Mass432.645
Monoisotopic Mass432.32396
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CC[C@@H](O)C(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
InChIInChI=1S/C27H44O4/c1-17(8-13-25(30)26(3,4)31)22-11-12-23-19(7-6-14-27(22,23)5)9-10-20-15-21(28)16-24(29)18(20)2/h9-10,17,21-25,28-31H,2,6-8,11-16H2,1,3-5H3/b19-9+,20-10-/t17-,21-,22-,23+,24+,25-,27-/m1/s1
InChIKeyWFZKUWGUJVKMHC-UKBUZQLGSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
calcitetrol (CHEBI:47799) has role human metabolite (CHEBI:77746)
calcitetrol (CHEBI:47799) is a hydroxycalciol (CHEBI:47042)
IUPAC Name 
(1S,3R,5Z,7E,24R,25)-9,10-secocholesta-5,7,10(19)-triene-1,3,24,25-tetrol
Synonyms  Source
1α,24R,25(OH)3D3ChEBI
1α,24R,25-trihydroxyvitamin D3ChEBI
1α,24R,25-trihydroxycholecalciferolChEBI
UniProt Name  Source
calcitetrolUniProt
Manual XrefsDatabases
C18231KEGG COMPOUND