EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:167201 - fumisoquin C(1−)

ChEBI IDCHEBI:167201
ChEBI Namefumisoquin C(1−)
Stars
ASCII Namefumisoquin C(1-)
DefinitionA monocarboxylic acid anion that is the conjugate base of fumisoquin C, obtained from the deprotonation of the carboxy group. Major microspecies at pH 7.3.
Last Modified21 January 2021
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC13H9N2O6
Net Charge-1
Average Mass289.223
Monoisotopic Mass289.04661
SMILES[H][C@@]1(C(=O)[O-])C[C@H](O)c2ncc3c(c2N1)C(=O)C=C(O)C3=O
InChIInChI=1S/C13H10N2O6/c16-6-2-8(18)12(19)4-3-14-10-7(17)1-5(13(20)21)15-11(10)9(4)6/h2-3,5,7,15,17-18H,1H2,(H,20,21)/p-1/t5-,7-/m0/s1
InChIKeyOXRREVNRXZHHAX-FSPLSTOPSA-M
ChEBI Ontology
Outgoing Relation(s)
fumisoquin C(1−) (CHEBI:167201) is a monocarboxylic acid anion (CHEBI:35757)
fumisoquin C(1−) (CHEBI:167201) is conjugate base of fumisoquin C (CHEBI:167213)
Incoming Relation(s)
fumisoquin C (CHEBI:167213) is conjugate acid of fumisoquin C(1−) (CHEBI:167201)
IUPAC Name 
(2S,4S)-4,8-dihydroxy-7,10-dioxo-1,2,3,4,7,10-hexahydrobenzo[c][1,5]naphthyridine-2-carboxylate
Synonyms  Source
fumisoquin C anionChEBI
(2S,4S)-4,8-dihydroxy-7,10-dioxo-1H,2H,3H,4H,7H,10H-cyclohexa[c]1,5-naphthyridine-2-carboxylateIUPAC
UniProt Name  Source
fumisoquin CUniProt
Citations