CHEBI:73923 - (24R)-1α,24-dihydroxy-22-oxavitamin D3

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ChEBI Name (24R)-1α,24-dihydroxy-22-oxavitamin D3
ChEBI ID CHEBI:73923
ChEBI ASCII Name (24R)-1alpha,24-dihydroxy-22-oxavitamin D3
Definition A hydroxy seco-steroid that is calciol with C-22 replaced with an oxygen atom, and additional hydroxy groups at positions 1 and 24.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H42O4
Net Charge 0
Average Mass 418.60930
Monoisotopic Mass 418.30831
InChI InChI=1S/C26H42O4/c1-16(2)25(29)15-30-18(4)22-10-11-23-19(7-6-12-26(22,23)5)8-9-20-13-21(27)14-24(28)17(20)3/h8-9,16,18,21-25,27-29H,3,6-7,10-15H2,1-2,4-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24-,25-,26+/m0/s1
InChIKey QBLPQGCPHVNTFS-KJWIQCNYSA-N
SMILES [H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C)[C@H](C)OC[C@H](O)C(C)C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (24R)-1α,24-dihydroxy-22-oxavitamin D3 (CHEBI:73923) has functional parent calciol (CHEBI:28940)
(24R)-1α,24-dihydroxy-22-oxavitamin D3 (CHEBI:73923) has role metabolite (CHEBI:25212)
(24R)-1α,24-dihydroxy-22-oxavitamin D3 (CHEBI:73923) is a ether (CHEBI:25698)
(24R)-1α,24-dihydroxy-22-oxavitamin D3 (CHEBI:73923) is a hydroxy seco-steroid (CHEBI:36853)
(24R)-1α,24-dihydroxy-22-oxavitamin D3 (CHEBI:73923) is a triol (CHEBI:27136)
IUPAC Name
(1S,3R,5Z,7E,9ξ,20S)-20-{[(2R)-2-hydroxy-3-methylbutyl]oxy}-9,10-secopregna-5,7,10-triene-1,3-diol
Synonyms Sources
(24R)-1α,24-dihydroxy-22-oxacholecalciferol LIPID MAPS
(5Z,7E)-(1S,3R,24R)-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol LIPID MAPS
Manual Xref Database
LMST03020056 LIPID MAPS
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Registry Number Type Source
6690416 Reaxys Registry Number Reaxys
Last Modified
27 September 2013