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CHEBI:71980 - N-retinylidene-N-retinylethanolamine

ChEBI IDCHEBI:71980
ChEBI NameN-retinylidene-N-retinylethanolamine
Stars
ASCII NameN-retinylidene-N-retinylethanolamine
DefinitionA pyridinium ion obtained by formal condensation between two molecules of retinol and one the amino group of ethanolamine. A major constituent of retinal pigment epithelium lipofuscin
Last Modified24 November 2016
SubmitterBijay
DownloadsMolfile
FormulaC42H58NO
Net Charge+1
Average Mass592.932
Monoisotopic Mass592.45129
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/c2cc(/C=C/C=C(C)/C=C/C3=C(C)CCCC3(C)C)cc[n+]2CCO)C(C)(C)CCC1
InChIInChI=1S/C42H58NO/c1-32(20-22-39-35(4)17-12-25-41(39,6)7)14-10-16-34(3)30-38-31-37(24-27-43(38)28-29-44)19-11-15-33(2)21-23-40-36(5)18-13-26-42(40,8)9/h10-11,14-16,19-24,27,30-31,44H,12-13,17-18,25-26,28-29H2,1-9H3/q+1/b16-10+,19-11+,22-20+,23-21+,32-14+,33-15+,34-30+
InChIKeyWPWFMRDPTDEJJA-FAXVYDRBSA-N
ChEBI Ontology
Outgoing Relation(s)
N-retinylidene-N-retinylethanolamine (CHEBI:71980) is a pyridinium ion (CHEBI:50334)
N-retinylidene-N-retinylethanolamine (CHEBI:71980) is a retinoid (CHEBI:26537)
IUPAC Name 
2-[(1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohex-1-en-1-yl)octa-1,3,5,7-tetraen-1-yl]-1-(2-hydroxyethyl)-4-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohex-1-en-1-yl)hexa-1,3,5-trien-1-yl]pyridinium
Synonyms  Source
A2ESUBMITTER
di-retinoid-pyridinium-ethanolamineChEBI
UniProt Name  Source
N-retinylidene-N-retinylethanolamineUniProt
Registry NumbersSources
Reaxys:7504687Reaxys
Citations