EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:131971 - (1R,5aS,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylate

ChEBI IDCHEBI:131971
ChEBI Name(1R,5aS,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylate
Stars
ASCII Name(1R,5aS,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylate
DefinitionA dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of (1R,5aS,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylic acid; major species at pH 7.3.
Last Modified21 June 2016
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC14H12N2O4
Net Charge-2
Average Mass272.260
Monoisotopic Mass272.08080
SMILES[H][C@@]12NC3=C(N=C1CC=C[C@H]2C(=O)[O-])[C@H](C(=O)[O-])C=CC3
InChIInChI=1S/C14H14N2O4/c17-13(18)7-3-1-5-9-11(7)16-10-6-2-4-8(14(19)20)12(10)15-9/h1-4,7-8,11,16H,5-6H2,(H,17,18)(H,19,20)/p-2/t7-,8-,11+/m1/s1
InChIKeyMUDZFKKAMBPIJZ-XLDPMVHQSA-L
ChEBI Ontology
Outgoing Relation(s)
(1R,5aS,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylate (CHEBI:131971) is a dicarboxylic acid dianion (CHEBI:28965)
(1R,5aS,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylate (CHEBI:131971) is conjugate base of (1R,5aS,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylic acid (CHEBI:132261)
Incoming Relation(s)
(1R,5aS,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylic acid (CHEBI:132261) is conjugate acid of (1R,5aS,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylate (CHEBI:131971)
IUPAC Name 
(1R,5aS,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylate
UniProt Name  Source
(1R,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylateUniProt
Manual XrefsDatabases
CPD-12990MetaCyc
Citations