CHEBI:1233 - 3-(all-trans-octaprenyl)benzene-1,2-diol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(all-trans-octaprenyl)benzene-1,2-diol
ChEBI ID CHEBI:1233
ChEBI ASCII Name 3-(all-trans-octaprenyl)benzene-1,2-diol
Definition A 3-(all-trans-polyprenyl)benzene-1,2-diol in which the substituent at position 3 is an all-trans-octaprenyl moiety.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:62730
Supplier Information ChemicalBook:CB6236182, eMolecules:14089862, eMolecules:10182026, eMolecules:498535
Download Molfile XML SDF
more structures >>
Formulae C46H70O2
C46H70O2
Net Charge 0
Average Mass 655.049
Monoisotopic Mass 654.53758
InChI InChI=1S/C46H70O2/c1-36(2)18-10-19-37(3)20-11-21-38(4)22-12-23-39(5)24-13-25-40(6)26-14-27-41(7)28-15-29-42(8)30-16-31-43(9)34-35-44-32-17-33-45(47)46(44)48/h17-18,20,22,24,26,28,30,32-34,47-48H,10-16,19,21,23,25,27,29,31,35H2,1-9H3/b37-20+,38-22+,39-24+,40-26+,41-28+,42-30+,43-34+
InChIKey YNPGYMZVNLIZLD-BQFKTQOQSA-N
SMILES OC1=C(C\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CCC=C(C)C)/C)/C)/C)/C)/C)/C)/C)C=CC=C1O
Metabolite of Species Details
Escherichia coli (NCBI:txid562) See: PubMed
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-(all-trans-octaprenyl)benzene-1,2-diol (CHEBI:1233) has role Escherichia coli metabolite (CHEBI:76971)
3-(all-trans-octaprenyl)benzene-1,2-diol (CHEBI:1233) is a 3-(all-trans-polyprenyl)benzene-1,2-diol (CHEBI:62729)
IUPAC Name
3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]benzene-1,2-diol
Synonyms Sources
2-Octaprenyl-6-hydroxyphenol KEGG COMPOUND
3-(all-trans-octaprenyl)benzene-1,2-diol UniProt
3-Octaprenylcatechol KEGG COMPOUND
Manual Xrefs Databases
2-OCTAPRENYL-6-HYDROXYPHENOL MetaCyc
C05811 KEGG COMPOUND
View more database links
Citations Types Sources
10419476 PubMed citation Europe PMC
8703953 PubMed citation Europe PMC
Last Modified
08 October 2018