CHEBI:47799 - calcitetrol

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ChEBI Name calcitetrol
ChEBI ID CHEBI:47799
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C27H44O4
Net Charge 0
Average Mass 432.63586
Monoisotopic Mass 432.32396
InChI InChI=1S/C27H44O4/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/h9-10,17,21-25,28-31H,2,6-8,11-16H2,1,3-5H3/b19-9+,20-10-/t17-,21-,22-,23+,24+,25-,27-/m1/s1
InChIKey WFZKUWGUJVKMHC-UKBUZQLGSA-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[C@@H](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 calcitetrol (CHEBI:47799) has role human metabolite (CHEBI:77746)
calcitetrol (CHEBI:47799) is a hydroxycalciol (CHEBI:47042)
IUPAC Name
(1S,3R,5Z,7E,24R,25)-9,10-secocholesta-5,7,10(19)-triene-1,3,24,25-tetrol
Synonyms Sources
1α,24R,25(OH)3D3 ChEBI
1α,24R,25-trihydroxycholecalciferol ChEBI
1α,24R,25-trihydroxyvitamin D3 ChEBI
calcitetrol UniProt
Manual Xref Database
C18231 KEGG COMPOUND
View more database links
Last Modified
20 April 2015