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CHEBI:17933 - calcidiol

ChEBI IDCHEBI:17933
ChEBI Namecalcidiol
Stars
DefinitionA hydroxycalciol that is calciol in which the hydrogen at position 25 has been replaced by a hydroxy group.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.
Secondary ChEBI IDsCHEBI:3304, CHEBI:13931, CHEBI:19815, CHEBI:46387
Last Modified4 August 2021
DownloadsMolfile

FormulaC27H44O2
Net Charge0
Average Mass400.647
Monoisotopic Mass400.33413
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)CCC1=C
InChIInChI=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
InChIKeyJWUBBDSIWDLEOM-DTOXIADCSA-N

Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification

ChEBI Ontology
IUPAC Name 
(3S,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol
INNs  Source
calcifediolum  laChEBI
calcifédiol  frChEBI
calcifediol  esChEBI
calcifediolWHO MedNet
Synonyms  Source
CalcidiolKEGG COMPOUND
25-Hydroxyvitamin D3KEGG COMPOUND
CalcifediolKEGG COMPOUND
Calcifediol anhydrousKEGG COMPOUND
25-hydroxycholecalciferolJCBN
(5Z,7E)-(3S)-9,10-secocholesta-5,7,10(19)-triene-3,25-diolJCBN
Brand Name  Source
RayaldeeChEBI
UniProt Name  Source
calcidiolUniProt
Manual XrefsDatabases
C01561KEGG COMPOUND
VDYPDBeChem
LMST03020246LIPID MAPS
DB00146DrugBank
CalcifediolWikipedia
464DrugCentral
Registry NumbersSources
Reaxys:4270041Reaxys
CAS:19356-17-3KEGG COMPOUND
CAS:19356-17-3ChemIDplus
Citations