CHEBI:86320 - 1α,25-dihydroxyvitamin D2

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1α,25-dihydroxyvitamin D2
ChEBI ID CHEBI:86320
ChEBI ASCII Name 1alpha,25-dihydroxyvitamin D2
Definition A hydroxycalciol that is vitamin D2 bearing additional hydroxy substituents at positions 1α and 25.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information eMolecules:26752499, ZINC000100163363
Download Molfile XML SDF
Formula C28H44O3
Net Charge 0
Average Mass 428.64720
Monoisotopic Mass 428.32905
InChI InChI=1S/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23-,24-,25+,26+,28-/m1/s1
InChIKey ZGLHBRQAEXKACO-XJRQOBMKSA-N
SMILES C[C@H](\C=C\[C@H](C)C(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
fat-soluble vitamin (role)
Any vitamin that dissolves in fats and are stored in body tissues. Unlike the water-soluble vitamins, they are stored in the body for long periods of time and generally pose a greater risk for toxicity when consumed in excess.
(via vitamin D )
Application(s): bone density conservation agent
An agent that inhibits bone resorption and/or favor bone mineralization and bone regeneration. Used to heal bone fractures and to treat bone diseases such as osteopenia and osteoporosis.
nutraceutical
A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1α,25-dihydroxyvitamin D2 (CHEBI:86320) has functional parent vitamin D2 (CHEBI:28934)
1α,25-dihydroxyvitamin D2 (CHEBI:86320) has role bone density conservation agent (CHEBI:50646)
1α,25-dihydroxyvitamin D2 (CHEBI:86320) has role human xenobiotic metabolite (CHEBI:76967)
1α,25-dihydroxyvitamin D2 (CHEBI:86320) has role nutraceutical (CHEBI:50733)
1α,25-dihydroxyvitamin D2 (CHEBI:86320) is a hydroxycalciol (CHEBI:47042)
1α,25-dihydroxyvitamin D2 (CHEBI:86320) is a seco-ergostane (CHEBI:36819)
1α,25-dihydroxyvitamin D2 (CHEBI:86320) is a vitamin D (CHEBI:27300)
Synonyms Sources
1,25-Dihydroxycalciferol HMDB
1,25-Dihydroxyergocalciferol HMDB
1,25-Dihydroxyvitamin D2 HMDB
1α,25-dihydroxycalciferol HMDB
1α,25-dihydroxyergocalciferol SUBMITTER
1alpha,25-Dihydroxyergocalciferol ChEBI
1α,25-dihydroxyvitamin D2 UniProt
1alpha,25-Dihydroxyvitamin D2 ChEBI
Ercalcitriol ChEBI
Manual Xrefs Databases
HMDB0006225 HMDB
LMST03010040 LIPID MAPS
View more database links
Registry Numbers Types Sources
5635017 Reaxys Registry Number Reaxys
60133-18-8 CAS Registry Number ChemIDplus
Citations
Shinkyo R, Sakaki T, Kamakura M, Ohta M, Inouye K (2004)
Metabolism of vitamin D by human microsomal CYP2R1.
Biochemical and biophysical research communications 324, 451-457 (Source: SUBMITTER) [PubMed:15465040]
[show Abstract]
Mawer EB, Berry JL, Cundall JP, Still PE, White A (1990)
A sensitive radioimmunoassay using a monoclonal antibody that is equipotent for ercalcitriol and calcitriol (1,25-dihydroxy vitamin D2 and D3).
Clinica chimica acta; international journal of clinical chemistry 190, 199-209 [PubMed:2253400]
[show Abstract]
Last Modified
16 July 2015