CHEBI:33237 - vitamin D4

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ChEBI Name vitamin D4
ChEBI ID CHEBI:33237
ChEBI ASCII Name vitamin D4
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C28H46O
Net Charge 0
Average Mass 398.66424
Monoisotopic Mass 398.355
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
Roles Classification
Biological Role(s): fat-soluble vitamin
Vitamins like A, D, E and K that dissolve in fats and are stored in body tissues. Unlike the water-soluble vitamins, these 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) is a hydroxy seco-steroid (CHEBI:36853)
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
(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
vitamin D4 ChemIDplus
Database Links Databases
C18192 KEGG COMPOUND
LMST03030001 LIPID MAPS
View more database links
Registry Numbers Types Sources
3221782 Beilstein Registry Number Beilstein
511-28-4 CAS Registry Number ChemIDplus
Last Modified
28 July 2014