EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:47837 - calcitriol 26,23-lactone

ChEBI IDCHEBI:47837
ChEBI Namecalcitriol 26,23-lactone
Stars
Last Modified20 November 2007
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC27H40O5
Net Charge0
Average Mass444.612
Monoisotopic Mass444.28757
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CC3CC(C)(O)C(=O)O3)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
InChIInChI=1S/C27H40O5/c1-16(12-21-15-27(4,31)25(30)32-21)22-9-10-23-18(6-5-11-26(22,23)3)7-8-19-13-20(28)14-24(29)17(19)2/h7-8,16,20-24,28-29,31H,2,5-6,9-15H2,1,3-4H3/b18-7+,19-8-/t16-,20-,21?,22-,23+,24+,26-,27?/m1/s1
InChIKeyWMYIVSWWSRCZFA-DKRDSXHXSA-N
ChEBI Ontology
Outgoing Relation(s)
calcitriol 26,23-lactone (CHEBI:47837) has functional parent calcitriol (CHEBI:17823)
calcitriol 26,23-lactone (CHEBI:47837) is a steroid lactone (CHEBI:26766)
IUPAC Name 
(1S,3R,5Z,7E)-1,3,25-trihydroxy-9,10-secocholesta-5,7,10-trieno-26,23-lactone
Synonyms  Source
(1S,3R,5Z,7E)-1,3,25-trihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10-trien-26-oneIUPAC
1α,25-dihydroxyvitamin D3 26,23-lactoneChEBI
1α,25-dihydroxycholecalciferol 26,23-lactoneChEBI