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

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PhIP

	Properties	Image
MNX_ID	MNXM34816
reference	chebi:76290
formula	C₁₃H₁₂N₄
global charge	0
mol weight	224.267
InChIKey	UQVKZNNCIHJZLS-UHFFFAOYSA-N
InChI	InChI=1S/C13H12N4/c1-17-11-7-10(9-5-3-2-4-6-9)8-15-12(11)16-13(17)14/h2-8H,1H3,(H2,14,15,16)
SMILES	CN1C2=CC(C3=CC=CC=C3)=CN=C2N=C1N

MNX internals

InChI (mnx)	InChI=1/C13H12N4/c1-17-11-7-10(9-5-3-2-4-6-9)8-15-12(11)16-13(17)14/h2-8H,1H3,(H2,14,15,16)
SMILES (mnx)	[CH3:1][N:17]1[C:11]2=[C:12]([N:15]=[CH:8][C:10]([C:9]3=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]3)=[CH:7]2)[NH:16][C:13]1=[NH:14]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:76290 chebi:76290 UQVKZNNCIHJZLS-UHFFFAOYSA-N	PhIP 1-methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-amine 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine
hmdb:HMDB0041008 UQVKZNNCIHJZLS-UHFFFAOYSA-N	1-Methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-amine 1-Methyl-6-phenyl-1H-imidazo(4,5-b)pyridin-2-amine 1-Methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-amine, 9ci 1-methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-amine 1H-imidazo(4,5-b)Pyridin-2-amine, 1-methyl-6-phenyl- (9ci) 1H-imidazo(4,5-b)Pyridine 2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine 2-amino-1-Methyl-6-phenyl-1H-imidazo[4,5-b]pyridine 2-amino-1-Methyl-6-phenyl-imidazo [4,5-b] pyridine 2-amino-1-Methyl-6-phenyl-imidazo(4,5-b)pyridine 2-amino-1-Methyl-6-phenylimidazo [4,5-b]pyridine (phip) 2-amino-1-Methyl-6-phenylimidazo(4,5-b)pyridine PHIP PIQ PhIP
sabiork.compound:28738 sabiorkM:28738 UQVKZNNCIHJZLS-UHFFFAOYSA-N	2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine
kegg.compound:C16038 keggC:C16038 UQVKZNNCIHJZLS-UHFFFAOYSA-N	2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine PhIP
seed.compound:cpd14759 seedM:cpd14759 UQVKZNNCIHJZLS-UHFFFAOYSA-N	PhIP 2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine
hmdb:HMDB41008 keggC:M_C16038 seedM:M_cpd14759	secondary/obsolete/fantasy identifier