CHEBI:47820 - (1S)-1-hydroxy-23-oxo-24,25,26,27-tetranorcalciol

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ChEBI Name (1S)-1-hydroxy-23-oxo-24,25,26,27-tetranorcalciol
ChEBI ID CHEBI:47820
ChEBI ASCII Name (1S)-1-hydroxy-23-oxo-24,25,26,27-tetranorcalciol
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C23H34O3
Net Charge 0
Average Mass 358.51426
Monoisotopic Mass 358.25079
InChI InChI=1S/C23H34O3/c1-15(10-12-24)20-8-9-21-17(5-4-11-23(20,21)3)6-7-18-13-19(25)14-22(26)16(18)2/h6-7,12,15,19-22,25-26H,2,4-5,8-11,13-14H2,1,3H3/b17-6+,18-7-/t15-,19-,20-,21+,22+,23-/m1/s1
InChIKey AOVGFTJYESGAEA-NKLFQLIUSA-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)CC=O
ChEBI Ontology
Outgoing (1S)-1-hydroxy-23-oxo-24,25,26,27-tetranorcalciol (CHEBI:47820) is a aldehyde (CHEBI:17478)
(1S)-1-hydroxy-23-oxo-24,25,26,27-tetranorcalciol (CHEBI:47820) is a hydroxycalciol (CHEBI:47042)
(1S)-1-hydroxy-23-oxo-24,25,26,27-tetranorcalciol (CHEBI:47820) is a oxocalciol (CHEBI:47806)
IUPAC Name
(1S,3R,5Z,7E)-1,3-dihydroxy-24-nor-9,10-secochola-5,7,10(19)-trien-23-al
Synonyms Sources
(1S)-1-hydroxy-23-oxo-24,25,26,27-tetranorcalciol UniProt
24,25,26,27-tetranor-23-oxo-1α-hydroxycholecalciferol ChEBI
24,25,26,27-tetranor-23-oxo-1α-hydroxyvitamin B3 ChEBI
tetranor-23-oxo-1α(OH)D3 ChEBI
Registry Number Type Source
8806414 Beilstein Registry Number Beilstein
Last Modified
16 March 2016