CHEBI:75402 - 2-methyl-6-all-trans-nonaprenyl-1,4-benzoquinone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-methyl-6-all-trans-nonaprenyl-1,4-benzoquinone
ChEBI ID CHEBI:75402
ChEBI ASCII Name 2-methyl-6-all-trans-nonaprenyl-1,4-benzoquinone
Definition A polyprenylhydroquinone that is 2-methylbenzene-1,4-diol substituted by a all-trans-nonaprenyl group at position 6.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Secondary ChEBI IDs CHEBI:81191
Supplier Information
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Formula C52H80O2
Net Charge 0
Average Mass 737.210
Monoisotopic Mass 736.61583
InChI InChI=1S/C52H80O2/c1-40(2)20-12-21-41(3)22-13-23-42(4)24-14-25-43(5)26-15-27-44(6)28-16-29-45(7)30-17-31-46(8)32-18-33-47(9)34-19-35-48(10)36-37-50-39-51(53)38-49(11)52(50)54/h20,22,24,26,28,30,32,34,36,38-39,53-54H,12-19,21,23,25,27,29,31,33,35,37H2,1-11H3/b41-22+,42-24+,43-26+,44-28+,45-30+,46-32+,47-34+,48-36+
InChIKey SWKACZQJGXABCN-JSGWLJPKSA-N
SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=C(O)C(C)=CC(O)=C1
ChEBI Ontology
Outgoing 2-methyl-6-all-trans-nonaprenyl-1,4-benzoquinone (CHEBI:75402) is a dihydroxytoluene (CHEBI:64532)
2-methyl-6-all-trans-nonaprenyl-1,4-benzoquinone (CHEBI:75402) is a polyprenylhydroquinone (CHEBI:26253)
IUPAC Name
2-methyl-6-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]benzene-1,4-diol
Synonyms Sources
2-methyl-6-(all-trans-nonaprenyl)benzene-1,4-diol UniProt
2-methyl-6-all-trans-nonaprenylbenzene-1,4-diol KEGG COMPOUND
2-methyl-6-solanesylbenzene-1,4-diol KEGG COMPOUND
2-methyl-6-solanyl-1,4-benzoquinol KEGG COMPOUND
2-methyl-6-solanyl-1,4-benzoquinone SUBMITTER
MSBQ KEGG COMPOUND
Manual Xrefs Databases
2-METHYL-6-SOLANYL-14-BENZOQUINONE MetaCyc
C17570 KEGG COMPOUND
View more database links
Registry Number Type Source
21245280 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
14508009 PubMed citation SUBMITTER
16896719 PubMed citation Europe PMC
Last Modified
25 September 2024