Record Information
Version1.0
Creation date2011-04-06 18:26:21 UTC
Update date2019-11-26 03:20:52 UTC
Primary IDFDB021782
Secondary Accession NumbersNot Available
Chemical Information
FooDB Name25-Hydroxycholecalciferol
DescriptionCalfcifediol is a prehormone that is produced in the liver by hydroxylation of vitamin D3 (cholecalciferol) by the enzyme cholecalciferol 25-hydroxylase. Calcifediol is then converted in the kidneys into calcitriol (1,25-(OH)2D3), a secosteroid hormone that is the active form of vitamin D. It can also be converted into 24-hydroxycalcidiol in the kidneys via 24-hydroxylation. [Wikipedia]. 25-Hydroxycholecalciferol is found in many foods, some of which are green zucchini, green bell pepper, red bell pepper, and other animal fat.
CAS Number19356-17-3
Structure
Thumb
Synonyms
SynonymSource
(3b,5Z,7e)-9,10-Secocholesta-5,7,10(19)-triene-3,25-diolGenerator
(3beta,5Z,7e)-9,10-Secocholesta-5,7,10(19)-triene-3,25-diolChEBI
(3S,5Z,7e)-9,10-Secocholesta-5,7,10-triene-3,25-diolChEBI
(3β,5Z,7e)-9,10-secocholesta-5,7,10(19)-triene-3,25-diolGenerator
(5Z,7E)-(3S)-9,10-secocholesta-5,7,10(19)-triene-3,25-diolmanual
25-(OH)Dmanual
25-Hydroxy-cholecalciferolHMDB
25-Hydroxyvitamin Dmanual
25-Hydroxyvitamin D3manual
25(OH)D3ChEBI
3-{2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-4-methylene-cyclohexanolChEBI
5,6-cis-25-Hydroxyvitamin D3HMDB
9,10-Secocholesta-5,7,10(19)-triene-3b,25-diolHMDB
Calcidiolmanual
Calcifediolmanual
Calcifediol anhydrousChEBI
CalcifediolumChEBI
Calderolmanual
Dedrogylmanual
Delakminmanual
Diaverenemanual
Didrogylmanual
Hidroferolmanual
Vitamin D, 25-hydroxycholecalciferolmanual
Predicted PropertiesNot Available
Chemical FormulaC27H44O2
IUPAC name
InChI IdentifierInChI=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
InChI KeyJWUBBDSIWDLEOM-DTOXIADCSA-N
Isomeric SMILESC[C@H](CCCC(C)(C)O)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C
Average Molecular Weight400.6371
Monoisotopic Molecular Weight400.334130652
Classification
ClassificationNot classified
Ontology
Physiological effect

Health effect:

Disposition

Route of exposure:

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Biological location:

Process

Naturally occurring process:

Role

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Industrial application:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider ID4446820
ChEMBL IDCHEMBL1040
KEGG Compound IDC01561
Pubchem Compound ID5283731
Pubchem Substance IDNot Available
ChEBI ID17933
Phenol-Explorer IDNot Available
DrugBank IDDB00146
HMDB IDHMDB03550
CRC / DFC (Dictionary of Food Compounds) IDHLJ22-W:HMC07-T
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG ID2289142
KNApSAcK IDNot Available
HET IDVDY
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDCalcifediol
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSshow
References
Synthesis ReferenceNot Available
General Reference
  1. Hollis BW, Roos BA, Draper HH, Lambert PW: Vitamin D and its metabolites in human and bovine milk. J Nutr. 1981 Jul;111(7):1240-8. Pubmed [Isolation]
Content Reference— Saxholt, E., et al. 'Danish food composition databank, revision 7.' Department of Nutrition, National Food Institute, Technical University of Denmark (2008).
— U.S. Department of Agriculture, Agricultural Research Service. 2008. USDA National Nutrient Database for Standard Reference, Release 21. Nutrient Data Laboratory Home Page.