Terminology Service for NFDI4Health
JSON

vitamin D2

Go to external page http://purl.obolibrary.org/obo/CHEBI_28934

A vitamin D supplement and has been isolated from alfalfa.

Term info

Label

vitamin D2

Synonyms
  • (3S,5Z,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraen-3-ol
  • Vitamin D2
  • vitamin D2
database cross reference
Subsets

3_STAR

INN
ergocalciferol [ ChEBI ]

INN
ergocalciferolum [ ChEBI ]

IUPAC NAME
(3S,5Z,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraen-3-ol [ IUPAC ]

charge

0

formula

C28H44O

has alternative id

CHEBI:23937, CHEBI:10007

has obo namespace

chebi_ontology

has related synonym

ercalciol, (3beta,5Z,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraen-3-ol, ergocalciferol, oleovitamin D2, Ergocalciferol, activated ergosterol, Vitamina D2, calciferol, (5Z,7E,22E)-(3S)-9,10-secoergosta-5,7,10(19),22-tetraen-3-ol, viosterol, ergocalciferolum, (5Z,7E,22E)-(3S)-9,10-seco-5,7,10(19),22-ergostatetraen-3-ol

id

CHEBI:28934

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

mass

396.64836

monoisotopicmass

396.33922

smiles

[H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)\C=C\[C@H](C)C(C)C