CHEBI:47812 - (1S)-1,25-dihydroxy-24-oxocalciol

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ChEBI Name (1S)-1,25-dihydroxy-24-oxocalciol ChEBI ID CHEBI:47812 ChEBI ASCII Name (1S)-1,25-dihydroxy-24-oxocalciol Stars This entity has been manually annotated by the ChEBI Team. Supplier Information ChemicalBook:CB4149527, eMolecules:32278126, Selleckchem:Divalproex-sodium Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H42O4 Net Charge 0 Average Mass 430.61998 Monoisotopic Mass 430.30831 InChI InChI=1S/C27H42O4/c1-17(8-13-25(30)26(3,4)31)22-11-12-23-19(7-6-14-27(22,23)5)9-10-20-15-21(28)16-24(29)18(20)2/h9-10,17,21-24,28-29,31H,2,6-8,11-16H2,1,3-5H3/b19-9+,20-10-/t17-,21-,22-,23+,24+,27-/m1/s1 InChIKey BWFQMABKLLTETH-YGQRWWDYSA-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)CCC(=O)C(C)(C)O Metabolite of Species Details Homo sapiens (NCBI:txid9606) See: DOI Roles Classification Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing (1S)-1,25-dihydroxy-24-oxocalciol (CHEBI:47812) has role human metabolite (CHEBI:77746) (1S)-1,25-dihydroxy-24-oxocalciol (CHEBI:47812) is a hydroxycalciol (CHEBI:47042) (1S)-1,25-dihydroxy-24-oxocalciol (CHEBI:47812) is a oxocalciol (CHEBI:47806) (1S)-1,25-dihydroxy-24-oxocalciol (CHEBI:47812) is a tertiary α-hydroxy ketone (CHEBI:139592) IUPAC Name (1S,3R,5Z,7E)-1,3,25-trihydroxy-9,10-secocholesta-5,7,10-trien-24-one Synonyms Sources (1S)-1,25-dihydroxy-24-oxocalciol UniProt 1,25-Dihydroxy-24-oxo-vitamin D3 ChemIDplus 1,25-Dihydroxy-24-oxocholecalciferol ChemIDplus 1α,25-dihydroxy-24-oxocholecalciferol LIPID MAPS 1α,25-dihydroxy-24-oxovitamin D3 LIPID MAPS 24-Kdhvd3 ChemIDplus 24-Keto-1,25-dihydroxyvitamin D3 ChemIDplus 24-oxo-1α,25(OH)2D3 ChEBI 24-oxo-1α,25-dihydroxycholecalciferol ChEBI 24-oxo-1α,25-dihydroxyvitamin D3 ChEBI Manual Xref Database LMST03020186 LIPID MAPS View more database links Registry Numbers Types Sources 6005336 Beilstein Registry Number Beilstein 76338-50-6 CAS Registry Number ChemIDplus Last Modified 06 February 2018