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CHEBI:40918 - axerophthene

ChEBI IDCHEBI:40918
ChEBI Nameaxerophthene
Stars
DefinitionA diterpene that is cyclohexene substituted by a (1Z,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraen-1-yl group at position 2 and by methyl groups at positions 1,3 and 3. It is the parent hydrocarbon on which Vitamin A and other retinoids are based.
Last Modified8 March 2021
DownloadsMolfile
FormulaC20H30
Net Charge0
Average Mass270.460
Monoisotopic Mass270.23475
SMILESC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C20H30/c1-7-16(2)10-8-11-17(3)13-14-19-18(4)12-9-15-20(19,5)6/h7-8,10-11,13-14H,9,12,15H2,1-6H3/b10-8+,14-13+,16-7+,17-11+
InChIKeyIDMGVRDNZFQORW-JWBAUCAFSA-N
ChEBI Ontology
Outgoing Relation(s)
axerophthene (CHEBI:40918) is a diterpene (CHEBI:35190)
axerophthene (CHEBI:40918) is a polyene (CHEBI:48121)
IUPAC Name 
2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraen-1-yl]-1,3,3-trimethylcyclohexene
Synonyms  Source
2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexenePDBeChem
all-trans axerophthenePDBeChem
2-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraen-1-yl]-1,3,3-trimethylcyclohex-1-eneIUPAC
(all-E)-2-(3,7-dimethyl-1,3,5,7-nonatetraenyl)-1,3,3-trimethylcyclohexeneChemIDplus
deoxyretinolChEBI
(all-E)-3,7-dimethyl-1-(2,6,6-trimethyl-2-cyclohexen-1-ylidene)-2,4,6-nonatrieneChEBI
Manual XrefsDatabases
AZEPDBeChem
LMPR0104020002LIPID MAPS
4450033ChemSpider
Registry NumbersSources
CAS:6895-29-0ChemIDplus
Citations