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calcidiol

Go to external page http://purl.obolibrary.org/obo/CHEBI_17933

A hydroxycalciol that is calciol in which the hydrogen at position 25 has been replaced by a hydroxy group. A prehormone resulting from the oxidation of calciol in the liver, it is further hydroxylated in the kidney to give calcitriol, the active form of vitamin D3.

Term info

Label

calcidiol

Synonyms
  • (3S,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol
  • Calcidiol
  • calcidiol
database cross reference
Subsets

3_STAR

INN
calcifediol [ ChEBI ]

BRAND NAME
Rayaldee [ ChEBI ]

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

INN
calcifediolum [ ChEBI ]

INN
calcifediol [ WHO_MedNet ]

charge

0

formula

C27H44O2

has alternative id

CHEBI:46387, CHEBI:3304, CHEBI:13931, CHEBI:19815

has obo namespace

chebi_ontology

has related synonym

(3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol, calcifediol, 25-hydroxyvitamin D3, Calcifediol, 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, Calcifediol anhydrous, Rayaldee, calcifediolum, (3S,5Z,7E)-9,10-secocholesta-5,7,10-triene-3,25-diol, 25-hydroxycholecalciferol, (5Z,7E)-(3S)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol, 25-Hydroxyvitamin D3, 25(OH)D3

id

CHEBI:17933

inchi

InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1

inchikey

JWUBBDSIWDLEOM-DTOXIADCSA-N

mass

400.63706

monoisotopicmass

400.33413

smiles

[H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)CCCC(C)(C)O