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alfacalcidol

Go to external page http://purl.obolibrary.org/obo/CHEBI_31186

A member of the class of D3 vitamins that is calciol in which the hydrogen at the 1alpha position is replaced by a hydroxy group. It is an active metabolite of cholecalciferol, which performs important functions in regulation of the calcium balance and the bone metabolism.

Term info

Label

alfacalcidol

Synonyms
  • (1S,3R,5Z,7E)-9,10-secocholesta-5,7,10-triene-1,3-diol
  • alfacalcidol
database cross reference
Subsets

3_STAR

INN
alfacalcidolum [ WHO_MedNet ]

IUPAC NAME
(1S,3R,5Z,7E)-9,10-secocholesta-5,7,10-triene-1,3-diol [ IUPAC ]

INN
alfacalcidol [ WHO_MedNet ]

BRAND NAME
Alsiodol [ KEGG_DRUG ]

charge

0

formula

C27H44O2

has obo namespace

chebi_ontology

has related synonym

alfacalcidolum, Alsiodol, 9,10-secocholesta-5,7,10(19)-triene-1alpha,3beta-diol, 1alpha-hydroxyvitamin D3, 1alpha-hydroxycholecalciferol, (5Z,7E)-9,10-seco-5,7,10(19)-cholestatrien-1alpha,3beta-diol, 1alpha-hydroxy-vitamin D3, alfacalcidol

id

CHEBI:31186

inchi

InChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12-/t19-,23-,24-,25+,26+,27-/m1/s1

inchikey

OFHCOWSQAMBJIW-AVJTYSNKSA-N

mass

400.63710

monoisotopicmass

400.33413

smiles

CC(C)CCC[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