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CHEBI:191287 - 1,1'-(OH)2-2-keto-3,4,3',4'-tetradehydrolycopene

ChEBI IDCHEBI:191287
ChEBI Name1,1'-(OH)2-2-keto-3,4,3',4'-tetradehydrolycopene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H54O3
Net Charge0
Average Mass582.869
Monoisotopic Mass582.40730
SMILESCC(/C=C/C=C(C)/C=C/C=C(C)/C=C/CC(C)(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)\C=C\C(=O)C(C)(C)O
InChIInChI=1S/C40H54O3/c1-32(20-13-22-34(3)24-15-26-36(5)28-17-31-39(7,8)42)18-11-12-19-33(2)21-14-23-35(4)25-16-27-37(6)29-30-38(41)40(9,10)43/h11-30,42-43H,31H2,1-10H3/b12-11+,20-13+,21-14+,24-15+,25-16+,28-17+,30-29+,32-18+,33-19+,34-22+,35-23+,36-26+,37-27+
InChIKeyFCVLQCIPPMSBEB-XRAPVDLYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) hTERT-RPE1 cell (BTO:0004790) MetaboLights (MTBLS682)
ChEBI Ontology
Outgoing Relation(s)
1,1'-(OH)2-2-keto-3,4,3',4'-tetradehydrolycopene (CHEBI:191287) is a xanthophyll (CHEBI:27325)
IUPAC Name 
(4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-2,31-dihydroxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaen-3-one
Manual XrefsDatabases
LMPR01070216LIPID MAPS
17220975ChemSpider