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

ChEBI IDCHEBI:47820
ChEBI Name(1S)-1-hydroxy-23-oxo-24,25,26,27-tetranorcalciol
Stars
ASCII Name(1S)-1-hydroxy-23-oxo-24,25,26,27-tetranorcalciol
Last Modified16 March 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC23H34O3
Net Charge0
Average Mass358.522
Monoisotopic Mass358.25079
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CC=O)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
InChIInChI=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
InChIKeyAOVGFTJYESGAEA-NKLFQLIUSA-N
ChEBI Ontology
Outgoing Relation(s)
(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  Source
tetranor-23-oxo-1α(OH)D3ChEBI
24,25,26,27-tetranor-23-oxo-1α-hydroxyvitamin B3ChEBI
24,25,26,27-tetranor-23-oxo-1α-hydroxycholecalciferolChEBI
UniProt Name  Source
(1S)-1-hydroxy-23-oxo-24,25,26,27-tetranorcalciolUniProt
Registry NumbersSources
Beilstein:8806414Beilstein