Terminology Service for NFDI4Health
1alpha,2beta,25-trihydroxy vitamin D3
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http://purl.obolibrary.org/obo/CHEBI_87395
A hydroxy seco-steroid that is calciol carrying three additional hydroxy substituents at positions 1alpha, 2beta and 25.
Term info
Label
1alpha,2beta,25-trihydroxy vitamin D3
Synonyms
- (1R,2R,3R,5Z,7E)-9,10-secocholesta-5,7,10-triene-1,2,3,25-tetrol
Subsets
3_STAR
charge
0
formula
C27H44O4
has obo namespace
chebi_ontology
has related synonym
1alpha,2beta,25-(OH)3 cholecalciferol, 1alpha,2beta,25(OH)3D3, 1alpha,2beta,25-(OH)3 vitamin D3, 1alpha,2beta,25-trihydroxycholecalciferol
id
CHEBI:87395
inchi
InChI=1S/C27H44O4/c1-17(8-6-14-26(3,4)31)21-12-13-22-19(9-7-15-27(21,22)5)10-11-20-16-23(28)25(30)24(29)18(20)2/h10-11,17,21-25,28-31H,2,6-9,12-16H2,1,3-5H3/b19-10+,20-11-/t17-,21-,22+,23-,24-,25-,27-/m1/s1
inchikey
JGIYYEHLYUOKSD-FQKVRLMOSA-N
mass
432.63590
monoisotopicmass
432.32396
smiles
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@@H](O)[C@H](O)C1=C