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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

ChEBI Ontology
IUPAC Name 
(3S,5Z,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraen-3-ol
INNs  Source
ergocalciferolWHO MedNet
ergocalciferol  esWHO MedNet
ergocalciferolum  laWHO MedNet
ergocalciférol  frWHO MedNet
Synonyms  Source
Vitamin D2KEGG COMPOUND
(3β,5Z,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraen-3-olNIST Chemistry WebBook
oleovitamin D2NIST Chemistry WebBook
calciferolChemIDplus
activated ergosterolChemIDplus
ercalciolJCBN
Brand Names  Source
RodinecChemIDplus
ViosterolChemIDplus
DiactolChemIDplus
Vio-DChemIDplus
DeltalinChemIDplus
SterogylChemIDplus
UniProt Name  Source
vitamin D2UniProt
Manual XrefsDatabases
C05441KEGG COMPOUND
D00187KEGG DRUG
LMST03010001LIPID MAPS
DB00153DrugBank
4444351ChemSpider
US1902785Patent
US2030792Patent
US1680818Patent
US1871136Patent
ErgocalciferolWikipedia
D2VPDBeChem
HMDB0000900HMDB
VITAMIN_D2MetaCyc
2838DrugCentral
107PPDB
FDB012811FooDB
Registry NumbersSources
Gmelin:1310395Gmelin
Beilstein:1916682Beilstein
CAS:50-14-6KEGG COMPOUND
CAS:50-14-6ChemIDplus
CAS:50-14-6NIST Chemistry WebBook
Citations