EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:77663 - pulcherriminate(2−)

ChEBI IDCHEBI:77663
ChEBI Namepulcherriminate(2−)
Stars
ASCII Namepulcherriminate(2-)
DefinitionAn organic anion obtained by deprotonation of the two hydroxy groups of pulcherriminic acid; major species at pH 7.3.
Last Modified14 April 2014
SubmitterKAX
DownloadsMolfile
FormulaC12H18N2O4
Net Charge-2
Average Mass254.286
Monoisotopic Mass254.12775
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/p-2
InChIKeyWXWWNANFOZVVLD-UHFFFAOYSA-L
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)
pulcherriminate(2−) (CHEBI:77663) has role metabolite (CHEBI:25212)
pulcherriminate(2−) (CHEBI:77663) is a organic anion (CHEBI:25696)
pulcherriminate(2−) (CHEBI:77663) is conjugate base of pulcherriminic acid (CHEBI:71599)
Incoming Relation(s)
pulcherriminic acid (CHEBI:71599) is conjugate acid of pulcherriminate(2−) (CHEBI:77663)
IUPAC Name 
3,6-diisobutylpyrazine-2,5-diolate 1,4-dioxide
Synonym  Source
pulcherriminic acid(2−)ChEBI
UniProt Name  Source
pulcherriminic acidUniProt
Citations