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(1R,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylate

MNXM9389 is deprecated and here replaced by MNXM1372572
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1372572 Image of MNXM1372572
referencechebi:131971
formulaC14H12N2O4
global charge-2
mol weight272.26
InChIKeyMUDZFKKAMBPIJZ-XLDPMVHQSA-L
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
SMILESO=C([O-])[C@@H]1C=CCC2=C1N=C1CC=C[C@@H](C(=O)[O-])[C@@H]1N2
MNX internals
InChI (mnx)InChI=1/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)/t7-,8-,11+/m1/s1 Image of MNXM1372572
SMILES (mnx)[CH:1]1=[CH:3][C@@H:7]([C:13](=[O:17])[OH:18])[C@H:11]2[C:9](=[N:15][C:12]3=[C:10]([CH2:6][CH:2]=[CH:4][C@H:8]3[C:14](=[O:19])[OH:20])[NH:16]2)[CH2:5]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

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

CHEBI:132261
chebi:132261
MUDZFKKAMBPIJZ-XLDPMVHQSA-N 		(1R,5aS,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylic acid

kegg.compound:C21408
keggC:C21408
MUDZFKKAMBPIJZ-XLDPMVHQSA-N 		(1R,6R)-1,4,5,5a,6,9-Hexahydrophenazine-1,6-dicarboxylate

metacyc.compound:CPD-12990
metacycM:CPD-12990
MUDZFKKAMBPIJZ-XLDPMVHQSA-L 		(1R,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylate

keggC:M_C21408 		secondary/obsolete/fantasy identifier