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CHEBI:4712 - doxercalciferol

ChEBI IDCHEBI:4712
ChEBI Namedoxercalciferol
Stars
DefinitionA hydroxy seco-steroid and synthetic vitamin D2 analogue that undergoes metabolic activation in vivo to form 1α,25-dihydroxyvitamin D2 (1α,25-(OH)2D2), a naturally occurring, biologically active form of vitamin D2. It is used to treat secondary hyperparathyroidism, a condition in which the body produces excess parathyroid hormone (PTH; a natural substance needed to control the amount of calcium in the blood) in certain people with chronic kidney disease.
Last Modified10 April 2018
DownloadsMolfile
FormulaC28H44O2
Net Charge0
Average Mass412.658
Monoisotopic Mass412.33413
SMILES[H][C@@]12CC[C@]([H])([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
InChIInChI=1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/b10-9+,22-11+,23-12-/t19-,20+,24+,25+,26-,27-,28+/m0/s1
InChIKeyHKXBNHCUPKIYDM-CGMHZMFXSA-N
Wikipedia
Roles Classification
Biological Roles:
prohormone  Any intra-glandular substance that acts as a precursor of a hormone, usually having minimal hormonal effect itself. Prohormones generally help in amplifying the effect of existing hormones.
provitamin  A substance that can be converted into a vitamin by animal tissues.
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.
Application:
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.
ChEBI Ontology
Outgoing Relation(s)
doxercalciferol (CHEBI:4712) has role bone density conservation agent (CHEBI:50646)
doxercalciferol (CHEBI:4712) has role prohormone (CHEBI:71212)
doxercalciferol (CHEBI:4712) has role provitamin (CHEBI:50188)
doxercalciferol (CHEBI:4712) is a hydroxy seco-steroid (CHEBI:36853)
doxercalciferol (CHEBI:4712) is a vitamin D (CHEBI:27300)
IUPAC Name 
(1S,3R,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraene-1,3-diol
INNs  Source
doxercalciférolumWHO MedNet
doxercalciferolumWHO MedNet
doxercalciferolWHO MedNet
doxercalciferolChemIDplus
Synonyms  Source
1α-hydroxyergocalciferolChemIDplus
1α-hydroxyvitamin D2ChEBI
Brand Name  Source
HectorolKEGG DRUG
UniProt Name  Source
1α-hydroxyvitamin D2UniProt
Manual XrefsDatabases
C08211KEGG COMPOUND
V2HPDBeChem
D01009KEGG DRUG
957DrugCentral
DoxercalciferolWikipedia
DB06410DrugBank
Registry NumbersSources
CAS:54573-75-0KEGG COMPOUND
CAS:54573-75-0ChemIDplus
Citations