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CHEBI:28934 - vitamin D2

ChEBI IDCHEBI:28934
ChEBI Namevitamin D2
Stars
ASCII Namevitamin D2
DefinitionA vitamin D supplement and has been isolated from alfalfa.
Secondary ChEBI IDsCHEBI:10007, CHEBI:23937
Last Modified2 August 2021
DownloadsMolfile
FormulaC28H44O
Net Charge0
Average Mass396.659
Monoisotopic Mass396.33922
SMILES[H][C@@]12CC[C@]([H])([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)CCC1=C
InChIInChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1
InChIKeyMECHNRXZTMCUDQ-RKHKHRCZSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- DOI (10.1038/nbt.2488)
blood plasma (BTO:0000118) PubMed (227368)
saliva (UBERON:0001836) Article (Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation))
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
fat-soluble vitamin (role)  Any vitamin that dissolves in fats and are stored in body tissues. Unlike the water-soluble vitamins, they are stored in the body for long periods of time and generally pose a greater risk for toxicity when consumed in excess.
Applications:
rodenticide  A substance used to destroy rodent pests.
nutraceutical  A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance.
bone density conservation agent  An agent that inhibits bone resorption and/or favor bone mineralization and bone regeneration. Used to heal bone fractures and to treat bone diseases such as osteopenia and osteoporosis.
ChEBI Ontology
Outgoing Relation(s)
vitamin D2 (CHEBI:28934) has role bone density conservation agent (CHEBI:50646)
vitamin D2 (CHEBI:28934) has role nutraceutical (CHEBI:50733)
vitamin D2 (CHEBI:28934) has role plant metabolite (CHEBI:76924)
vitamin D2 (CHEBI:28934) has role rodenticide (CHEBI:33288)
vitamin D2 (CHEBI:28934) is a hydroxy seco-steroid (CHEBI:36853)
vitamin D2 (CHEBI:28934) is a seco-ergostane (CHEBI:36819)
vitamin D2 (CHEBI:28934) is a vitamin D (CHEBI:27300)
Incoming Relation(s)
1α,25-dihydroxyvitamin D2 (CHEBI:86320) has functional parent vitamin D2 (CHEBI:28934)
25-hydroxyvitamin D2 (CHEBI:86319) has functional parent vitamin D2 (CHEBI:28934)
paricalcitol (CHEBI:7931) has functional parent vitamin D2 (CHEBI:28934)
IUPAC Name 
(3S,5Z,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraen-3-ol
INNs  Source
ergocalciferolWHO MedNet
ergocalciferolWHO MedNet
ergocalciférolWHO MedNet
ergocalciferolumWHO MedNet
Synonyms  Source
(3β,5Z,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraen-3-olNIST Chemistry WebBook
(5Z,7E,22E)-(3S)-9,10-seco-5,7,10(19),22-ergostatetraen-3-olLIPID MAPS
(5Z,7E,22E)-(3S)-9,10-secoergosta-5,7,10(19),22-tetraen-3-olJCBN
activated ergosterolChemIDplus
calciferolChemIDplus
ercalciolJCBN
Brand Names  Source
Buco-DChemIDplus
DecapsChemIDplus
Dee-RonChemIDplus
DeltalinChemIDplus
DiactolChemIDplus
DoralChemIDplus
UniProt Name  Source
vitamin D2UniProt
Manual XrefsDatabases
107PPDB
2838DrugCentral
4444351ChemSpider
C05441KEGG COMPOUND
D00187KEGG DRUG
D2VPDBeChem
DB00153DrugBank
ErgocalciferolWikipedia
FDB012811FooDB
HMDB0000900HMDB
LMST03010001LIPID MAPS
US1680818Patent
US1871136Patent
US1902785Patent
US2030792Patent
VITAMIN_D2MetaCyc
Registry NumbersSources
Gmelin:1310395Gmelin
Beilstein:1916682Beilstein
CAS:50-14-6KEGG COMPOUND
CAS:50-14-6NIST Chemistry WebBook
CAS:50-14-6ChemIDplus
Citations