Terminology Service for NFDI4Health
JSON

calcitriol

Go to external page http://purl.obolibrary.org/obo/CHEBI_17823

A hydroxycalciol that is calcidiol in which the pro-S hydrogen of calcidiol is replaced by a hydroxy group. It is the active form of vitamin D3, produced fom calciol via hydoxylation in the liver to form calcidiol, which is subsequently oxidised in the kidney to give calcitriol.

Term info

Label

calcitriol

Synonyms
  • (1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol
  • Calcitriol
  • calcitriol
database cross reference
Subsets

3_STAR

BRAND NAME
Calcijex [ DrugBank ]

BRAND NAME
Decostriol [ DrugBank ]

INN
calcitriol [ WHO_MedNet ]

INN
calcitriolum [ ChEBI ]

IUPAC NAME
(1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol [ IUPAC ]

INN
calcitriol [ ChEBI ]

BRAND NAME
Rocaltrol [ KEGG_DRUG ]

charge

0

formula

C27H44O3

has alternative id

CHEBI:3307, CHEBI:46435, CHEBI:13932, CHEBI:19209

has obo namespace

chebi_ontology

has related synonym

1alpha,25(OH)2D3, (1alpha,3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol, (1S,3R,5Z,7E)-9,10-secocholesta-5,7,10-triene-1,3,25-triol, Rocaltrol, (5Z,7E)-(1S,3R)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol, 1alpha,25-dihydroxycholecalciferol, 1-alpha-25-Dihydroxyvitamin D3, Calcijex, calcitriolum, calcitriol, 1alpha,25-dihydroxyvitamin D3, 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, 1,25-DHCC, Decostriol

id

CHEBI:17823

inchi

InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1

inchikey

GMRQFYUYWCNGIN-NKMMMXOESA-N

mass

416.63646

monoisotopicmass

416.32905

smiles

[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CCCC(C)(C)O