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CHEBI:180470 - 9-cis-lycopene

ChEBI IDCHEBI:180470
ChEBI Name9-cis-lycopene
Stars
ASCII Name9-cis-lycopene
DefinitionAn acyclic carotene that is lycopene having a cis-double bond at position 9.
Last Modified15 September 2021
SubmitterAdnan
DownloadsMolfile
FormulaC40H56
Net Charge0
Average Mass536.888
Monoisotopic Mass536.43820
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)CCC=C(C)C
InChIInChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29-,40-30+
InChIKeyOAIJSZIZWZSQBC-CBEQXLMWSA-N
Species of MetaboliteComponentSourceComments
Psidium guajava (ncbitaxon:120290) - PubMed (10563863) Isolated from the flesh.
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
9-cis-lycopene (CHEBI:180470) has part carotenoid ψ-end derivative (CHEBI:139114)
9-cis-lycopene (CHEBI:180470) has role antioxidant (CHEBI:22586)
9-cis-lycopene (CHEBI:180470) has role plant metabolite (CHEBI:76924)
9-cis-lycopene (CHEBI:180470) is a acyclic carotene (CHEBI:35162)
IUPAC Name 
(9cis)-ψ,ψ-carotene
Synonyms  Source
(6E,8E,10Z,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaeneIUPAC
(9Z)-lycopeneChEBI
(9Z)-ψ,ψ-caroteneChEBI
Manual XrefsDatabases
4944639ChemSpider
HMDB0240366HMDB
C00023251KNApSAcK
FDB020643FooDB
Registry NumbersSources
CAS:64727-64-6ChemIDplus
Citations