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CHEBI:71599 - pulcherriminic acid

ChEBI IDCHEBI:71599
ChEBI Namepulcherriminic acid
Stars
DefinitionA pyrazine N-oxide that is pyrazine-1,4-dioxide substituted at positions 2 and 5 by hydroxy groups and at positions 3 and 6 by isobutyl groups. Formed by oxidative aromatisation of cyclo(L-leucyl-L-leucyl).
Last Modified9 April 2014
SubmitterKAX
DownloadsMolfile
FormulaC12H20N2O4
Net Charge0
Average Mass256.302
Monoisotopic Mass256.14231
SMILESCC(C)Cc1c(O)[n+]([O-])c(CC(C)C)c(O)[n+]1[O-]
InChIInChI=1S/C12H20N2O4/c1-7(2)5-9-11(15)14(18)10(6-8(3)4)12(16)13(9)17/h7-8,15-16H,5-6H2,1-4H3
InChIKeyWXWWNANFOZVVLD-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
pulcherriminic acid (CHEBI:71599) has role metabolite (CHEBI:25212)
pulcherriminic acid (CHEBI:71599) is a hydroxypyrazine (CHEBI:71633)
pulcherriminic acid (CHEBI:71599) is a pyrazine N-oxide (CHEBI:71632)
pulcherriminic acid (CHEBI:71599) is conjugate acid of pulcherriminate(2−) (CHEBI:77663)
Incoming Relation(s)
pulcherrimin (CHEBI:71601) has functional parent pulcherriminic acid (CHEBI:71599)
pulcherriminate(2−) (CHEBI:77663) is conjugate base of pulcherriminic acid (CHEBI:71599)
IUPAC Name 
3,6-diisobutylpyrazine-2,5-diol 1,4-dioxide
Synonym  Source
2,5-Diisobutyl-3,6-dihydroxy-pyrazine-1,4-dioxideChemIDplus
Registry NumbersSources
Reaxys:889146Reaxys
CAS:957-86-8ChemIDplus
Citations