EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:131978 - (5aS)-5,5a-dihydrophenazine-1,6-dicarboxylate

Default Structure
ChEBI IDCHEBI:131978
ChEBI Name(5aS)-5,5a-dihydrophenazine-1,6-dicarboxylate
Stars
ASCII Name(5aS)-5,5a-dihydrophenazine-1,6-dicarboxylate
DefinitionA dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of (5aS)-5,5a-dihydrophenazine-1,6-dicarboxylic acid; major species at pH 7.3.
Last Modified21 June 2016
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC14H8N2O4
Net Charge-2
Average Mass268.228
Monoisotopic Mass268.04950
SMILES[H][C@@]12Nc3cccc(C(=O)[O-])c3N=C1C=CC=C2C(=O)[O-]
InChIInChI=1S/C14H10N2O4/c17-13(18)7-3-1-5-9-11(7)16-10-6-2-4-8(14(19)20)12(10)15-9/h1-6,11,16H,(H,17,18)(H,19,20)/p-2/t11-/m0/s1
InChIKeyINPMVLIHPFWVLB-NSHDSACASA-L
ChEBI Ontology
Outgoing Relation(s)
(5aS)-5,5a-dihydrophenazine-1,6-dicarboxylate (CHEBI:131978) is a dicarboxylic acid dianion (CHEBI:28965)
(5aS)-5,5a-dihydrophenazine-1,6-dicarboxylate (CHEBI:131978) is conjugate base of (5aS)-5,5a-dihydrophenazine-1,6-dicarboxylic acid (CHEBI:132263)
Incoming Relation(s)
(5aS)-5,5a-dihydrophenazine-1,6-dicarboxylic acid (CHEBI:132263) is conjugate acid of (5aS)-5,5a-dihydrophenazine-1,6-dicarboxylate (CHEBI:131978)
IUPAC Name 
(5aS)-5,5a-dihydrophenazine-1,6-dicarboxylate
UniProt Name  Source
(5aS)-5,5a-dihydrophenazine-1,6-dicarboxylateUniProt
Manual XrefsDatabases
CPD-19104MetaCyc
Citations