CHEBI:4712 - Doxercalciferol

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ChEBI Name Doxercalciferol
ChEBI ID CHEBI:4712
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C28H44O2
Net Charge 0
Average Mass 412.649
Monoisotopic Mass 412.334
InChI InChI=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
InChIKey HKXBNHCUPKIYDM-CGMHZMFXSA-N
SMILES CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C
Roles Classification
Biological Role(s): fat-soluble vitamin
Vitamins like A, D, E and K that dissolve in fats and are stored in body tissues. Unlike the water-soluble vitamins, these 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 )
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ChEBI Ontology
Outgoing Doxercalciferol (CHEBI:4712) is a vitamin D (CHEBI:27300)
Synonyms Sources
1alpha-Hydroxyergocalciferol KEGG COMPOUND
1α-hydroxyvitamin D2 UniProt
Doxercalciferol KEGG COMPOUND
hectorol DrugCentral
Database Links Databases
957 DrugCentral
C08211 KEGG COMPOUND
D01009 KEGG DRUG
V2H PDBeChem
View more database links
Registry Number Type Source
54573-75-0 CAS Registry Number KEGG COMPOUND
Last Modified
22 February 2017