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CHEBI:33237 - vitamin D4

ChEBI IDCHEBI:33237
ChEBI Namevitamin D4
Stars
ASCII Namevitamin D4
DefinitionIt is present in mushrooms.
Last Modified2 August 2021
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC28H46O
Net Charge0
Average Mass398.675
Monoisotopic Mass398.35487
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CC[C@H](C)C(C)C)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)CCC1=C
InChIInChI=1S/C28H46O/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/h12-13,19-20,22,25-27,29H,4,7-11,14-18H2,1-3,5-6H3/b23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1
InChIKeyDIPPFEXMRDPFBK-JPWDPSJFSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Agaricus bisporus (ncbitaxon:5341) - PubMed (27323764)
Roles Classification
Biological Roles:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
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.
ChEBI Ontology
Outgoing Relation(s)
vitamin D4 (CHEBI:33237) has role fungal metabolite (CHEBI:76946)
vitamin D4 (CHEBI:33237) is a seco-ergostane (CHEBI:36819)
vitamin D4 (CHEBI:33237) is a vitamin D (CHEBI:27300)
IUPAC Name 
(3S,5Z,7E)-9,10-secoergosta-5,7,10(19)-trien-3-ol
Synonyms  Source
vitamin D4ChemIDplus
(3β,5Z,7E)-9,10-secoergosta-5,7,10(19)-trien-3-olChEBI
22,23-dihydroergocalciferolJCBN
(24S)-methylcalciolJCBN
22,23-dihydroercalciolJCBN
(5Z,7E)-(3S)-9,10-secoergosta-5,7,10(19)-trien-3-olJCBN
Manual XrefsDatabases
LMST03030001LIPID MAPS
C18192KEGG COMPOUND
22-DihydroergocalciferolWikipedia
4574179ChemSpider
Registry NumbersSources
Beilstein:3221782Beilstein
CAS:511-28-4ChemIDplus
Citations