CHEBI:80134 - 1'-hydroxytorulene

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ChEBI Name 1'-hydroxytorulene
ChEBI ID CHEBI:80134
Definition A carotenol that is (3'E)-3',4'-didehydro-1',2'-dihydro-β,ψ-carotene which carries a hydroxy group at position 1'.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C40H56O
Net Charge 0
Average Mass 552.874
Monoisotopic Mass 552.43312
InChI InChI=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+
InChIKey JLURGIFQNZBRAB-CJXMTMHDSA-N
SMILES C=1(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/CC(C)(O)C)\C)\C)\C)/C)/C)C(CCCC1C)(C)C
Metabolite of Species Details
Spirochaeta aurantia (NCBI:txid147) of strain J1 See: PubMed
Roles Classification
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
1',2'-dihydro-1'-hydroxytorulene ChEBI
1'-hydroxytorulene UniProt
1'-OH-torulene ChEBI
3',4'-didehydro-1',2'-dihydro-β,ψ-caroten-1'-ol ChEBI
myxocoxanthin KEGG COMPOUND
Manual Xrefs Databases
C00022845 KNApSAcK
C15860 KEGG COMPOUND
CPD-17309 MetaCyc
View more database links
Registry Number Type Source
59122-37-1 CAS Registry Number KNApSAcK
Citations Waiting for Citations Types Sources
1158846 PubMed citation Europe PMC
15251462 PubMed citation Europe PMC
19304845 PubMed citation Europe PMC
Last Modified
05 February 2019