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CHEBI:48455 - 2-demethylmenaquinone-8

ChEBI IDCHEBI:48455
ChEBI Name2-demethylmenaquinone-8
Stars
Last Modified26 May 2011
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC50H70O2
Net Charge0
Average Mass703.108
Monoisotopic Mass702.53758
SMILESCC(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/CC1=CC(=O)c2ccccc2C1=O
InChIInChI=1S/C50H70O2/c1-38(2)19-12-20-39(3)21-13-22-40(4)23-14-24-41(5)25-15-26-42(6)27-16-28-43(7)29-17-30-44(8)31-18-32-45(9)35-36-46-37-49(51)47-33-10-11-34-48(47)50(46)52/h10-11,19,21,23,25,27,29,31,33-35,37H,12-18,20,22,24,26,28,30,32,36H2,1-9H3/b39-21+,40-23+,41-25+,42-27+,43-29+,44-31+,45-35+
InChIKeyGDUBPWSFXUAETN-AENDIINCSA-N
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
2-demethylmenaquinone-8 (CHEBI:48455) is a 2-demethylmenaquinone (CHEBI:28192)
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]naphthalene-1,4-dione
Synonyms  Source
demethylmenaquinoneChemIDplus
(all-E)-2-(3,7,11,15,19,23,27,31-octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaenyl)-1,4-naphthalenedioneChemIDplus
UniProt Name  Source
2-demethylmenaquinone-8UniProt
Registry NumbersSources
Beilstein:1899159Beilstein
CAS:29790-47-4ChemIDplus