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CHEBI:47803 - (23S)-23,25,26-trihydroxycalciol

ChEBI IDCHEBI:47803
ChEBI Name(23S)-23,25,26-trihydroxycalciol
Stars
ASCII Name(23S)-23,25,26-trihydroxycalciol
Last Modified10 March 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC27H44O4
Net Charge0
Average Mass432.645
Monoisotopic Mass432.32396
SMILES[H][C@@]12CC[C@]([H])([C@H](C)C[C@H](O)CC(C)(O)CO)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)CCC1=C
InChIInChI=1S/C27H44O4/c1-18-7-10-22(29)15-21(18)9-8-20-6-5-13-27(4)24(11-12-25(20)27)19(2)14-23(30)16-26(3,31)17-28/h8-9,19,22-25,28-31H,1,5-7,10-17H2,2-4H3/b20-8+,21-9-/t19-,22+,23+,24-,25+,26?,27-/m1/s1
InChIKeyGDIBDBUYVICGLY-VVFBGWIOSA-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)
(23S)-23,25,26-trihydroxycalciol (CHEBI:47803) has role human metabolite (CHEBI:77746)
(23S)-23,25,26-trihydroxycalciol (CHEBI:47803) is a hydroxycalciol (CHEBI:47042)
Incoming Relation(s)
(23S,25R)-23,25,26-trihydroxycalciol (CHEBI:47834) is a (23S)-23,25,26-trihydroxycalciol (CHEBI:47803)
IUPAC Name 
(3S,5Z,7E,23S)-9,10-secocholesta-5,7,10-triene-3,23,25,26-tetrol
Synonyms  Source
23S,25,26-trihydroxyvitamin D3ChEBI
23S,25,26(OH)3D3ChEBI
(23S)-23,25,26-trihydroxycholecalciferolIUPAC
23S,25,26-trihydroxycholecalciferolIUPAC