CHEBI:47837 - calcitriol 26,23-lactone

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ChEBI Name calcitriol 26,23-lactone
ChEBI ID CHEBI:47837
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H40O5
Net Charge 0
Average Mass 444.60350
Monoisotopic Mass 444.28757
InChI InChI=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
InChIKey WMYIVSWWSRCZFA-DKRDSXHXSA-N
SMILES [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CC1CC(C)(O)C(=O)O1
ChEBI Ontology
Outgoing 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 Sources
(1S,3R,5Z,7E)-1,3,25-trihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10-trien-26-one IUPAC
1α,25-dihydroxycholecalciferol 26,23-lactone ChEBI
1α,25-dihydroxyvitamin D3 26,23-lactone ChEBI
Last Modified
20 November 2007