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CHEBI:47214 - (23S)-23,25-dihydroxycalciol

ChEBI IDCHEBI:47214
ChEBI Name(23S)-23,25-dihydroxycalciol
Stars
ASCII Name(23S)-23,25-dihydroxycalciol
Last Modified28 September 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC27H44O3
Net Charge0
Average Mass416.646
Monoisotopic Mass416.32905
SMILES[H][C@@]12CC[C@]([H])([C@H](C)C[C@H](O)CC(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)16-21(18)10-9-20-7-6-14-27(5)24(12-13-25(20)27)19(2)15-23(29)17-26(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-/m1/s1
InChIKeyJVBPQHSRTHJMLM-WTHMTOCBSA-N
ChEBI Ontology
Outgoing Relation(s)
(23S)-23,25-dihydroxycalciol (CHEBI:47214) is a hydroxycalciol (CHEBI:47042)
IUPAC Name 
(3S,5Z,7E,23S)-9,10-secocholesta-5,7,10-triene-3,23,25-triol
Synonyms  Source
23S,25-dihydroxyvitamin D3ChEBI
23S,25(OH)2D3ChEBI
23S,25-dihydroxycholecalciferolChEBI
(23S)-23,25-dihydroxyvitamin D3LIPID MAPS
(23S)-23,25-dihydroxycholecalciferolLIPID MAPS
UniProt Name  Source
(23S)-23,25-dihydroxycalciolUniProt
Manual XrefsDatabases
LMST03020272LIPID MAPS
Registry NumbersSources
Beilstein:6772199Beilstein