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CHEBI:33279 - vitamin D5

ChEBI IDCHEBI:33279
ChEBI Namevitamin D5
Stars
ASCII Namevitamin D5
DefinitionA vitamin D in which the side-chain at position 17 consists of a (5R)-5-ethyl-6-methylheptan-2-yl group.
Last Modified2 August 2021
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC29H48O
Net Charge0
Average Mass412.702
Monoisotopic Mass412.37052
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CC[C@@H](CC)C(C)C)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)CCC1=C
InChIInChI=1S/C29H48O/c1-7-23(20(2)3)12-10-22(5)27-16-17-28-24(9-8-18-29(27,28)6)13-14-25-19-26(30)15-11-21(25)4/h13-14,20,22-23,26-28,30H,4,7-12,15-19H2,1-3,5-6H3/b24-13+,25-14-/t22-,23-,26+,27-,28+,29-/m1/s1
InChIKeyRMDJVOZETBHEAR-LQYWTLTGSA-N
Wikipedia
Roles Classification
Biological Role:
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 D5 (CHEBI:33279) is a vitamin D (CHEBI:27300)
IUPAC Name 
(3S,5Z,7E)-9,10-secostigmasta-5,7,10-trien-3-ol
Synonyms  Source
(3β,5Z,7E)-9,10-secostigmasta-5,7,10(19)-trien-3-olChemIDplus
sitocalciferolChEBI
24R-methylcalciolChemIDplus
(5Z,7E)-9,10-secostigmasta-5,7,10(19)-trien-3β-olChEBI
(5Z,7E)-9,10-Secostigmasta-5,7,10(19)-trien-3beta-olKEGG COMPOUND
(1S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,4R)-4-Ethyl-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylenecyclohexanolChEBI
Manual XrefsDatabases
C18193KEGG COMPOUND
FDB020368FooDB
HMDB0040586HMDB
Vitamin_D5Wikipedia
8085275ChemSpider
Registry NumbersSources
Beilstein:5616721Beilstein
Reaxys:10217937Reaxys
CAS:71761-06-3ChemIDplus
CAS:71761-06-3KEGG COMPOUND
Citations