CHEBI:33237 - vitamin D4

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ChEBI Name vitamin D4
ChEBI ID CHEBI:33237
ChEBI ASCII Name vitamin D4
Definition It is present in mushrooms.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
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Formula C28H46O
Net Charge 0
Average Mass 398.66424
Monoisotopic Mass 398.35487
InChI InChI=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
InChIKey DIPPFEXMRDPFBK-JPWDPSJFSA-N
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)CC[C@H](C)C(C)C
Metabolite of Species Details
Agaricus bisporus (NCBI:txid5341) See: PubMed
Roles Classification
Biological Role(s): 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.
(via vitamin D )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(24S)-methylcalciol JCBN
(3β,5Z,7E)-9,10-secoergosta-5,7,10(19)-trien-3-ol ChEBI
(3S)-9,10-seco-5Z,7E,10(19)-ergostatrien-3-ol LIPID MAPS
(5Z,7E)-(3S)-9,10-Seco-5,7,10(19)-ergostatrien-3-ol KEGG COMPOUND
(5Z,7E)-(3S)-9,10-secoergosta-5,7,10(19)-trien-3-ol JCBN
22,23-dihydroercalciol JCBN
22,23-dihydroergocalciferol JCBN
22-Dihydroergocalciferol KEGG COMPOUND
24S-methylcalciol ChemIDplus
Vitamin D4 ChemIDplus
vitamin D4 ChemIDplus
Manual Xrefs Databases
22-Dihydroergocalciferol Wikipedia
4574179 ChemSpider
C18192 KEGG COMPOUND
LMST03030001 LIPID MAPS
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Registry Numbers Types Sources
3221782 Beilstein Registry Number Beilstein
511-28-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
22870201 PubMed citation Europe PMC
24295670 PubMed citation Europe PMC
24494050 PubMed citation Europe PMC
27323764 PubMed citation Europe PMC
34181690 PubMed citation Europe PMC
IND601134157 Agricola citation Europe PMC
IND605677191 Agricola citation Europe PMC
Last Modified
02 August 2021