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CHEBI:80134 - 1'-hydroxytorulene

Default Structure
ChEBI IDCHEBI:80134
ChEBI Name1'-hydroxytorulene
Stars
DefinitionA carotenol that is (3'E)-3',4'-didehydro-1',2'-dihydro-β,ψ-carotene which carries a hydroxy group at position 1'.
Last Modified5 February 2019
DownloadsMolfile
FormulaC40H56O
Net Charge0
Average Mass552.887
Monoisotopic Mass552.43312
SMILESCC1=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)C(C)(C)CCC1
InChIInChI=1S/C40H56O/c1-32(20-13-22-34(3)23-14-24-35(4)26-16-31-40(9,10)41)18-11-12-19-33(2)21-15-25-36(5)28-29-38-37(6)27-17-30-39(38,7)8/h11-16,18-26,28-29,41H,17,27,30-31H2,1-10H3/b12-11+,20-13+,21-15+,23-14+,26-16+,29-28+,32-18+,33-19+,34-22+,35-24+,36-25+
InChIKeyJLURGIFQNZBRAB-CJXMTMHDSA-N
Species of MetaboliteComponentSourceComments
Spirochaeta aurantia (ncbitaxon:147) - PubMed (1158846) Strain: J1
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
1'-hydroxytorulene (CHEBI:80134) has parent hydride torulene (CHEBI:9638)
1'-hydroxytorulene (CHEBI:80134) has role bacterial metabolite (CHEBI:76969)
1'-hydroxytorulene (CHEBI:80134) is a carotenol (CHEBI:23045)
1'-hydroxytorulene (CHEBI:80134) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(3'E)-3',4'-didehydro-1',2'-dihydro-β,ψ-caroten-1'-ol
Synonyms  Source
1',2'-dihydro-1'-hydroxytoruleneChEBI
1'-OH-toruleneChEBI
3',4'-didehydro-1',2'-dihydro-β,ψ-caroten-1'-olChEBI
myxocoxanthinKEGG COMPOUND
UniProt Name  Source
1'-hydroxytoruleneUniProt
Manual XrefsDatabases
C00022845KNApSAcK
C15860KEGG COMPOUND
CPD-17309MetaCyc
Registry NumbersSources
CAS:59122-37-1KNApSAcK
Citations