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CHEBI:132450 - 1,1'-dihydroxy-3,4-didehydrolycopene

ChEBI IDCHEBI:132450
ChEBI Name1,1'-dihydroxy-3,4-didehydrolycopene
Stars
DefinitionA carotenol that is 3,4-didehydrolycopene carrying two hydroxy substituents at positions 1 and 1'.
Last Modified15 February 2019
Submittermwilliams
DownloadsMolfile
FormulaC40H58O2
Net Charge0
Average Mass570.902
Monoisotopic Mass570.44368
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)CCCC(C)(C)O
InChIInChI=1S/C40H58O2/c1-33(21-13-23-35(3)25-15-27-37(5)29-17-31-39(7,8)41)19-11-12-20-34(2)22-14-24-36(4)26-16-28-38(6)30-18-32-40(9,10)42/h11-17,19-29,41-42H,18,30-32H2,1-10H3/b12-11+,21-13+,22-14+,25-15+,26-16+,29-17+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+
InChIKeyNJDYXCXZPKNDPR-ABMRICDRSA-N
Species of MetaboliteComponentSourceComments
Calanus helgolandicus (ncbitaxon:114068)
- MetaboLights (MTBLS91)
- PubMed (26364855)
Roles Classification
Biological Role:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
1,1'-dihydroxy-3,4-didehydrolycopene (CHEBI:132450) has role marine metabolite (CHEBI:76507)
1,1'-dihydroxy-3,4-didehydrolycopene (CHEBI:132450) is a carotenol (CHEBI:23045)
1,1'-dihydroxy-3,4-didehydrolycopene (CHEBI:132450) is a diol (CHEBI:23824)
1,1'-dihydroxy-3,4-didehydrolycopene (CHEBI:132450) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(3E)-3,4-didehydro-1,1',2,2'-tetrahydro-ψ,ψ-carotene-1,1'-diol
Synonym  Source
1,1'-(OH)2-3,4-DidehydrolycopeneLIPID MAPS
UniProt Name  Source
1,1'-dihydroxy-3,4-didehydro-1,2-dihydrolycopeneUniProt
Manual XrefsDatabases
LMPR01070180LIPID MAPS
Registry NumbersSources
Reaxys:18377390Reaxys
Citations