CHEBI:40407 - 2-octaprenylphenol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-octaprenylphenol
ChEBI ID CHEBI:40407
Definition A 2-polyprenylphenol in which the polyprenyl chain contains 8 prenyl units; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:40398, CHEBI:1236
Supplier Information ChemicalBook:CB2739302, ChemicalBook:CB2704227, eMolecules:476359, Selleckchem:Abitrexate, ZINC000001529323
Download Molfile XML SDF
Formula C46H70O
Net Charge 0
Average Mass 639.04740
Monoisotopic Mass 638.54267
InChI InChI=1S/C46H70O/c1-37(2)19-12-20-38(3)21-13-22-39(4)23-14-24-40(5)25-15-26-41(6)27-16-28-42(7)29-17-30-43(8)31-18-32-44(9)35-36-45-33-10-11-34-46(45)47/h10-11,19,21,23,25,27,29,31,33-35,47H,12-18,20,22,24,26,28,30,32,36H2,1-9H3/b38-21+,39-23+,40-25+,41-27+,42-29+,43-31+,44-35+
InChIKey VUNQJPPPTJIREN-CMAXTTDKSA-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\Cc1ccccc1O
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 2-octaprenylphenol (CHEBI:40407) has role Escherichia coli metabolite (CHEBI:76971)
2-octaprenylphenol (CHEBI:40407) is a 2-polyprenylphenol (CHEBI:1269)
IUPAC Name
2-[(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]phenol
Synonyms Sources
2-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL]PHENOL PDBeChem
2-all-trans-octaprenylphenol UniProt
2-Octaprenylphenol KEGG COMPOUND
Manual Xrefs Databases
8PP PDBeChem
C05810 KEGG COMPOUND
DB03232 DrugBank
View more database links
Last Modified
09 March 2017