CHEBI:28934 - vitamin D2

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ChEBI Name vitamin D2
ChEBI ID CHEBI:28934
ChEBI ASCII Name vitamin D2
Definition A vitamin D supplement and has been isolated from alfalfa.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:23937, CHEBI:10007
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Formula C28H44O
Net Charge 0
Average Mass 396.659
Monoisotopic Mass 396.33922
InChI InChI=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
InChIKey MECHNRXZTMCUDQ-RKHKHRCZSA-N
SMILES [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C)[C@H](C)\C=C\[C@H](C)C(C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000118). See: PubMed
Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation)
Roles Classification
Biological Role(s): 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.
(via vitamin D )
Application(s): 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.
rodenticide
A substance used to destroy rodent pests.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
ergocalciferol WHO MedNet
ergocalciférol WHO MedNet
ergocalciferol WHO MedNet
ergocalciferolum WHO MedNet
Synonyms Sources
(+)-vitamin D2 ChemIDplus
(3β,5Z,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraen-3-ol NIST Chemistry WebBook
(5Z,7E,22E)-(3S)-9,10-seco-5,7,10(19),22-ergostatetraen-3-ol LIPID MAPS
(5Z,7E,22E)-(3S)-9,10-secoergosta-5,7,10(19),22-tetraen-3-ol JCBN
activated ergosterol ChemIDplus
calciferol ChemIDplus
ercalciol JCBN
oleovitamin D2 NIST Chemistry WebBook
Vitamin D2 KEGG COMPOUND
vitamin D2 UniProt
Vitamina D2 ChEBI
Brand Names Sources
Buco-D ChemIDplus
Decaps ChemIDplus
Dee-Ron ChemIDplus
Deltalin ChemIDplus
Diactol ChemIDplus
Doral ChemIDplus
Drisdol KEGG DRUG
Ertron ChemIDplus
Geltabs ChemIDplus
Ostelin ChemIDplus
Radiostol ChemIDplus
Radsterin ChemIDplus
Rodine C ChemIDplus
Rodinec ChemIDplus
Sterogyl ChemIDplus
Vio-D ChemIDplus
Viosterol ChemIDplus
Vitavel-D ChemIDplus
Manual Xrefs Databases
107 PPDB
2838 DrugCentral
4444351 ChemSpider
C05441 KEGG COMPOUND
D00187 KEGG DRUG
D2V PDBeChem
DB00153 DrugBank
Ergocalciferol Wikipedia
FDB012811 FooDB
HMDB0000900 HMDB
LMST03010001 LIPID MAPS
US1680818 Patent
US1871136 Patent
US1902785 Patent
US2030792 Patent
VITAMIN_D2 MetaCyc
View more database links
Registry Numbers Types Sources
1310395 Gmelin Registry Number Gmelin
1916682 Beilstein Registry Number Beilstein
50-14-6 CAS Registry Number KEGG COMPOUND
50-14-6 CAS Registry Number ChemIDplus
50-14-6 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
24362707 PubMed citation Europe PMC
24780068 PubMed citation Europe PMC
24854739 PubMed citation Europe PMC
31199458 PubMed citation Europe PMC
31614966 PubMed citation Europe PMC
31987498 PubMed citation Europe PMC
32784944 PubMed citation Europe PMC
34302325 PubMed citation Europe PMC
IND605848433 Agricola citation Europe PMC
PMC6578466 PubMed Central citation Europe PMC
Last Modified
02 August 2021