cholecalciferol
chemical compound
üksikjuht nähtusest
type of chemical entity
mille alamklass
(1S,3Z)-3-[(2E)-2-[(1R,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol[23]
cholecalciferol (undefined stereochemistry)[23]
osa objektist
vitamin D3 25-hydroxylase activity[26]
keemiline struktuur
image of molecular model or crystal lattice model
kujutab: sticks model
mass/kaal
384,339216 aatommassiühik[28]
stereoisomer of
(1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-Methyl-1-[(2R)-6-methylheptan-2-YL]-2,3,3A,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-OL[4][29]
(5Z,7E)-(3R)-9,10-seco-5,7,10(19)-cholestatrien-3-ol[29]
(5E,7E)-(3R)-9,10-seco-5,7,10(19)-cholestatrien-3-ol[29]
chemical formula
C₂₇H₄₄O[12]
canonical SMILES
CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C[12]
isomeric SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C[12]
defined daily dose
World Health Organisation international non-proprietary name
colecalciferol[31]
found in taxon
Taiwanofungus camphoratus[44]
medical condition treated
chronic renal insufficiency[45]
skin benign neoplasm[45]
skin disease[45]
lung benign neoplasm[45]
acropustulosis[45]
Crohn's colitis[45]
pregnancy category
US pregnancy category A
seotud pilt
MCN code
2936.29.21
Commonsi kategooria
Cholecalciferol
Viited
- ↑ 1,0 1,1 1,2 1,3 1,4 1,5 Global Substance Registration System, 19. november 2016, inglise keel, cholecalciferol, 1C6V77QF41
- ↑ CAS Common Chemistry, 10. aprill 2021, QYSXJUFSXHHAJI-YRZJJWOYSA-N, https://commonchemistry.cas.org/detail?cas_rn=67-97-0
- ↑ 3,0 3,1 ChEMBL, 19. november 2016, inglise keel, CHOLECALCIFEROL, CHEMBL1042
- ↑ 4,0 4,1 4,2 4,3 inferred from InChIKey
- ↑ 5,0 5,1 5,2 5,3 5,4 5,5 5,6 QYSXJUFSXHHAJI-YRZJJWOYSA-N, InChIKey
- ↑ ECHA Substance Infocard database, 27. detsember 2018, 100.000.612, Colecalciferol, CAS no.: 67-97-0
- ↑ 7,0 7,1 UniChem
- ↑ 8,0 8,1 Cambridge Structural Database, 10. jaanuar 2023, InChIKey match
- ↑ LIPID MAPS, http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download, 15. jaanuar 2022, QYSXJUFSXHHAJI-YRZJJWOYSA-N
- ↑ 10,0 10,1 ChEBI, 4. oktoober 2016, inglise keel, calciol, 28940
- ↑ Nuovo soggettario, https://thes.bncf.firenze.sbn.it/termine.php?id=51902, 17. juuni 2021
- ↑ 12,0 12,1 12,2 12,3 12,4 12,5 PubChem, 19. november 2016, inglise keel, 5280795, Vitamin D3
- ↑ OpenAlex, 26. jaanuar 2022, https://docs.openalex.org/download-snapshot/snapshot-data-format
- ↑ DrugBank, inglise keel, 17. november 2015, 00169, Cholecalciferol
- ↑ ChEBI release 2020-09-01
- ↑ International Chemical Identifier, InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1
- ↑ Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
- ↑ ChemSpider, 19. november 2016, inglise keel, 4444353, Cholecalciferol
- ↑ SwissLipids, https://www.swisslipids.org/#/downloads, 6. november 2021
- ↑ UMLS 2023, 25. mai 2023, inferred by common MeSH mappings on source and on Wikidata
- ↑ National Library of Israel Names and Subjects Authority File
- ↑ Hazardous Substances Data Bank, 10. mai 2021, 28. oktoober 2019, CHOLECALCIFEROL, 820
- ↑ 23,0 23,1 inferred from SMILES
- ↑ 24,0 24,1 24,2 Gene Ontology release 2019-11-16
- ↑ Gene Ontology release 2020-05-02
- ↑ http://geneontology.org/external2go/rhea2go, 1. veebruar 2021
- ↑ DrugBank, inglise keel, 17. november 2015, Cholecalciferol, 00169
- ↑ PubChem, 4. oktoober 2016, inglise keel, 5280795, Vitamin D3
- ↑ 29,0 29,1 29,2 29,3 inferred from InChI
- ↑ https://www.whocc.no/atc_ddd_index/?code=A11CC05
- ↑ ChEMBL, 19. jaanuar 2016, inglise keel, Cholecalciferol, CHEMBL1042
- ↑ Recon 2.2: from reconstruction to model of human metabolism
- ↑ The human saliva metabolome
- ↑ A community-driven global reconstruction of human metabolism.
- ↑ 35,0 35,1 Radioimmunoassay for Rapid Estimation of Vitamin D Derivatives in Calcinogenic Plants
- ↑ Isolation of 7-dehydrocholesterol from cell cultures of Solanum malacoxylon
- ↑ Effect of calcium and cell immobilization on the production of choleocalciferol and its derivatives by Solanum malacoxylon cell cultures
- ↑ Free vitamin D3 metabolites in Cestrum diurnum leaves
- ↑ The isolation and identification of vitamin D2 and vitamin D3 from Medicago sativa (alfalfa plant)
- ↑ 40,0 40,1 40,2 Vitamin D3 and its metabolites in tomato, potato, egg plant and zucchini leaves
- ↑ Constituents of Cocoa Husks
- ↑ The transgenic Arabidopsis plant system, pER8-GFP, as a powerful tool in searching for natural product estrogen-agonists/antagonists
- ↑ Comparative study on the stability of soybean (Glycine max) β-conglycinin in vivo
- ↑ Antcamphorols A-K, Cytotoxic and ROS Scavenging Triterpenoids from Antrodia camphorata
- ↑ 45,0 45,1 45,2 45,3 45,4 45,5 45,6 45,7 45,8 N0000146043, 13. detsember 2016, NDF-RT, inglise keel
- ↑ 46,0 46,1 Medical Subject Headings, 15. märts 2018, D002762
- ↑ Reactome, https://reactome.org/PathwayBrowser/#/R-HSA-1430728&DTAB=MT