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CHEBI:47805 - 25-hydroxy-24-oxocalciol

ChEBI IDCHEBI:47805
ChEBI Name25-hydroxy-24-oxocalciol
Stars
Last Modified6 February 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC27H42O3
Net Charge0
Average Mass414.630
Monoisotopic Mass414.31340
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCC(=O)C(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)CCC1=C
InChIInChI=1S/C27H42O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-24,28,30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11-/t19-,22+,23-,24+,27-/m1/s1
InChIKeyDDZHNKIBJQESJA-AHMPPUFCSA-N
ChEBI Ontology
Outgoing Relation(s)
25-hydroxy-24-oxocalciol (CHEBI:47805) is a hydroxycalciol (CHEBI:47042)
25-hydroxy-24-oxocalciol (CHEBI:47805) is a oxocalciol (CHEBI:47806)
25-hydroxy-24-oxocalciol (CHEBI:47805) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name 
(3S,5Z,7E)-3,25-dihydroxy-9,10-secocholesta-5,7,10-trien-24-one
Synonyms  Source
25-Hydroxy-24-oxocholecalciferolChemIDplus
24-Keto-25-hydroxyvitamin D3ChemIDplus
25-Hydroxy-24-oxovitamin D3ChemIDplus
24-oxo-25-hydroxyvitamin D3ChEBI
24-oxo-25(OH)D3ChEBI
24-oxocalcidiolChEBI
UniProt Name  Source
25-hydroxy-24-oxocalciolUniProt
Manual XrefsDatabases
LMST03020164LIPID MAPS
Registry NumbersSources
Beilstein:5628504Beilstein
CAS:74886-61-6ChemIDplus