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

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ChEBI Name (1R,5aS,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylate
ChEBI ID CHEBI:131971
ChEBI ASCII Name (1R,5aS,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylate
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C14H12N2O4
Net Charge -2
Average Mass 272.257
Monoisotopic Mass 272.08080
InChI InChI=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
InChIKey MUDZFKKAMBPIJZ-XLDPMVHQSA-L
SMILES C1C=C[C@H]([C@]2(C1=NC=3[C@@H](C=CCC3N2)C(=O)[O-])[H])C(=O)[O-]
ChEBI Ontology
Outgoing (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 (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
Synonym Source
(1R,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylate UniProt
Manual Xref Database
CPD-12990 MetaCyc
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Citation Waiting for Citations Type Source
23897464 PubMed citation SUBMITTER
Last Modified
21 June 2016