MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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phenazine-1-carboxylate

	Properties	Image
MNX_ID	MNXM9013
reference	chebi:62248
formula	C₁₃H₇N₂O₂
global charge	-1
mol weight	223.211
InChIKey	JGCSKOVQDXEQHI-UHFFFAOYSA-M
InChI	InChI=1S/C13H8N2O2/c16-13(17)8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-7H,(H,16,17)/p-1
SMILES	O=C([O-])C1=C2N=C3C=CC=CC3=NC2=CC=C1

MNX internals

InChI (mnx)	InChI=1/C13H8N2O2/c16-13(17)8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-7H,(H,16,17)
SMILES (mnx)	[CH:1]1=[CH:2][CH:6]=[C:10]2[C:9](=[CH:5]1)[N:14]=[C:11]1[CH:7]=[CH:3][CH:4]=[C:8]([C:13](=[O:16])[OH:17])[C:12]1=[N:15]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	12
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:62248 chebi:62248 JGCSKOVQDXEQHI-UHFFFAOYSA-M	phenazine-1-carboxylate PCA phenazine-1-carboxylate(1-)
kegg.compound:C21442 keggC:C21442 JGCSKOVQDXEQHI-UHFFFAOYSA-N	Phenazine-1-carboxylate
metacyc.compound:CPD-9522 metacycM:CPD-9522 JGCSKOVQDXEQHI-UHFFFAOYSA-M	phenazine-1-carboxylate 1-phenazinecarboxylic acid phenazine-1-carboxylic acid
CHEBI:62412 chebi:62412 JGCSKOVQDXEQHI-UHFFFAOYSA-N	phenazine-1-carboxylic acid 1-Carboxylic acid phenazine 1-Phenazinecarboxylic acid 1-carboxyphenazine Phenazin-1-carbonsaeure Phenazinecarboxylic acid
seed.compound:cpd17083 seedM:cpd17083 JGCSKOVQDXEQHI-UHFFFAOYSA-M	phenazine-1-carboxylic acid 1-phenazinecarboxylic acid pca phenazine-1-carboxylate
keggC:M_C21442 seedM:M_cpd17083	secondary/obsolete/fantasy identifier