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CHEBI:62481 - (3E)-3,4-didehydrorhodopin

Default Structure
ChEBI IDCHEBI:62481
ChEBI Name(3E)-3,4-didehydrorhodopin
Stars
ASCII Name(3E)-3,4-didehydrorhodopin
DefinitionA carotenol having the structure of rhodopin with two hydrogen atoms abstracted from the C(3)‒C(4) bond to form an extra trans double bond.
Last Modified28 July 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC40H56O
Net Charge0
Average Mass552.887
Monoisotopic Mass552.43312
SMILESCC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=C/CC(C)(C)O
InChIInChI=1S/C40H56O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-12,14-21,23-31,41H,13,22,32H2,1-10H3/b12-11+,23-14+,24-15+,28-16+,29-17+,31-18+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+
InChIKeyYNXUITAACINYQG-VWQKURAKSA-N
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
(3E)-3,4-didehydrorhodopin (CHEBI:62481) has functional parent rhodopin (CHEBI:35331)
(3E)-3,4-didehydrorhodopin (CHEBI:62481) has role bacterial metabolite (CHEBI:76969)
(3E)-3,4-didehydrorhodopin (CHEBI:62481) is a carotenol (CHEBI:23045)
(3E)-3,4-didehydrorhodopin (CHEBI:62481) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(3E)-3,4-didehydro-1,2-dihydro-ψ,ψ-caroten-1-ol
Synonyms  Source
1-hydroxy-3,4-didehydro-1,2-dihydrolycopeneChEBI
3,4-dehydrorhodopinKEGG COMPOUND
3,4-DidehydrorhodopinKEGG COMPOUND
(3E)-3,4-dehydrorhodopinChEBI
(3E)-3,4-didehydro-1,2-dihydro-1-hydroxy-ψ,ψ-caroteneChEBI
(4E,6E,8S,10E,12E,14E,16E,18E,20Z,22Z,24Z,26Z)-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,30-tridecaen-2-olIUPAC
UniProt Name  Source
(3E)-3,4-didehydrorhodopinUniProt
Manual XrefsDatabases
C15874KEGG COMPOUND
CPD-12611MetaCyc
Registry NumbersSources
Reaxys:2024274Reaxys
Citations