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

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5-methylphenazinium methyl sulfate

	Properties	Image
MNX_ID	MNXM38233
reference	chebi:8055
formula	C₁₄H₁₄N₂O₄S
global charge	0
mol weight	306.343
InChIKey	RXGJTUSBYWCRBK-UHFFFAOYSA-M
InChI	InChI=1S/C13H11N2.CH4O4S/c1-15-12-8-4-2-6-10(12)14-11-7-3-5-9-13(11)15;1-5-6(2,3)4/h2-9H,1H3;1H3,(H,2,3,4)/q+1;/p-1
SMILES	COS(=O)(=O)[O-].C[N+]1=C2C=CC=CC2=NC2=CC=CC=C21

MNX internals

InChI (mnx)	InChI=1/C13H11N2.CH4O4S/c1-15-12-8-4-2-6-10(12)14-11-7-3-5-9-13(11)15;1-5-6(2,3)4/h2-9H,1H3;1H3,(H,2,3,4)/q+1;
SMILES (mnx)	[CH3:16][O:20][S:21]([OH:17])(=[O:18])=[O:19].[CH3:1][N+:15]1=[C:13]2[CH:9]=[CH:5][CH:3]=[CH:7][C:11]2=[N:14][C:10]2=[CH:6][CH:2]=[CH:4][CH:8]=[C:12]21

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:8055 chebi:8055 RXGJTUSBYWCRBK-UHFFFAOYSA-M	5-methylphenazinium methyl sulfate 5-Methyl phenazine, methyl sulfate salt 5-Methylphenazine methylsulfate 5-Methylphenazinium methyl sulphate 5-methylphenazin-5-ium methyl sulfate Methylphenazonium methosulfate N-Methylphenazonium methosulfate N-Methylphenazonium methosulphate PMS Phenazine methosulfate Phenazine methosulphate
metacyc.compound:PMS metacycM:PMS	5-methylphenazinium methyl sulfate N-methylphenazinium methosulfate PMS phenazine methosulfate phenazine methylsulfate
kegg.compound:C00200 keggC:C00200 RXGJTUSBYWCRBK-UHFFFAOYSA-M	Phenazine methosulfate 5-Methylphenazinium methyl sulphate N-Methylphenazonium methosulfate
seed.compound:cpd00172 seedM:cpd00172 RXGJTUSBYWCRBK-UHFFFAOYSA-M	Phenazine methosulfate 5-Methylphenazinium methyl sulphate N-Methylphenazonium methosulfate N-methylphenazinium methosulfate PMS phenazine methosulfate phenazine methylsulfate
sabiork.compound:5019 sabiorkM:5019 RXGJTUSBYWCRBK-UHFFFAOYSA-M	Phenazine methosulfate 5-Methylphenazinium methyl sulphate N-Methylphenazonium methosulfate PMS
keggC:M_C00200 seedM:M_cpd00172	secondary/obsolete/fantasy identifier