CHEBI:47805 - 25-hydroxy-24-oxocalciol

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ChEBI Name 25-hydroxy-24-oxocalciol
ChEBI ID CHEBI:47805
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C27H42O3
Net Charge 0
Average Mass 414.62058
Monoisotopic Mass 414.31340
InChI InChI=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
InChIKey DDZHNKIBJQESJA-AHMPPUFCSA-N
SMILES [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C)[C@H](C)CCC(=O)C(C)(C)O
ChEBI Ontology
Outgoing 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 Sources
24-Keto-25-hydroxyvitamin D3 ChemIDplus
24-oxo-25(OH)D3 ChEBI
24-oxo-25-hydroxyvitamin D3 ChEBI
24-oxocalcidiol ChEBI
25-hydroxy-24-oxocalciol UniProt
25-Hydroxy-24-oxocholecalciferol ChemIDplus
25-Hydroxy-24-oxovitamin D3 ChemIDplus
25-hydroxy-24-oxovitamin D3 LIPID MAPS
Manual Xref Database
LMST03020164 LIPID MAPS
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Registry Numbers Types Sources
5628504 Beilstein Registry Number Beilstein
74886-61-6 CAS Registry Number ChemIDplus
Last Modified
06 February 2018