CHEBI:71599 - pulcherriminic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name pulcherriminic acid
ChEBI ID CHEBI:71599
Definition A 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).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Formula C12H20N2O4
Net Charge 0
Average Mass 256.29820
Monoisotopic Mass 256.14231
InChI InChI=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
InChIKey WXWWNANFOZVVLD-UHFFFAOYSA-N
SMILES CC(C)Cc1c(O)[n+]([O-])c(CC(C)C)c(O)[n+]1[O-]
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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-dioxide ChemIDplus
Registry Numbers Types Sources
889146 Reaxys Registry Number Reaxys
957-86-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
20690619 PubMed citation SUBMITTER
4204912 PubMed citation Europe PMC
4778264 PubMed citation Europe PMC
4985560 PubMed citation Europe PMC
5837792 PubMed citation Europe PMC
5923137 PubMed citation Europe PMC
Last Modified
09 April 2014