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

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7H-purine

	Properties	Image
MNX_ID	MNXM1102325
reference	chebi:17258
formula	C₅H₄N₄
global charge	0
mol weight	120.115
InChIKey	KDCGOANMDULRCW-UHFFFAOYSA-N
InChI	InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)
SMILES	C1=NC=NC2=C1NC=N2

MNX internals

InChI (mnx)	InChI=1/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)
SMILES (mnx)	[CH:1]1=[C:4]2[C:5](=[N:8][CH:2]=[N:6]1)[NH:9][CH:3]=[N:7]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	15
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17258 chebi:17258 KDCGOANMDULRCW-UHFFFAOYSA-N	7H-purine Purine Purine base
CHEBI:35586 chebi:35586 KDCGOANMDULRCW-UHFFFAOYSA-N	1H-purine
CHEBI:35588 chebi:35588 KDCGOANMDULRCW-UHFFFAOYSA-N	3H-purine
CHEBI:35589 chebi:35589 KDCGOANMDULRCW-UHFFFAOYSA-N	9H-purine
sabiork.compound:2053 sabiorkM:2053 KDCGOANMDULRCW-UHFFFAOYSA-N	Purine
hmdb:HMDB0001366 KDCGOANMDULRCW-UHFFFAOYSA-N	Purine 1H-Purine 6H-imidazo[4,5-D]Pyrimidine 7-Methyltheophylline 7H-Purine 7H-imidazo(4,5-D)Pyrimidine 7H-purine 9H-Purine Caffedrine Caffein Cafipel Coffeine Dasin Dexitac Diurex Durvitan Isopurine Koffein Mateina Methyltheobromine Phensal Propoxyphene compound 65 Purine base beta-Purine imidazo(4,5-D)Pyrimidine purine {6h-imidazo[4,5-D]pyrimidine} {7h-imidazo[4,} 5-D]pyrimidine {Imidazo[4,5-D]pyrimidine}
vmhM:purine vmhmetabolite:purine vmhM:purine_1 vmhmetabolite:purine_1 KDCGOANMDULRCW-UHFFFAOYSA-N	Purine 7H-purine
kegg.compound:C15587 keggC:C15587 KDCGOANMDULRCW-UHFFFAOYSA-N	Purine Purine base
seed.compound:cpd00360 seedM:cpd00360 KDCGOANMDULRCW-UHFFFAOYSA-N	Purine Purine base purine
metacyc.compound:PURINE metacycM:PURINE KDCGOANMDULRCW-UHFFFAOYSA-N	purine
metacyc.compound:PURINE-RING metacycM:PURINE-RING KDCGOANMDULRCW-UHFFFAOYSA-N	purine-ring
hmdb:HMDB01366 chebi:14968 chebi:8639 keggC:M_C15587 seedM:M_cpd00360 vmhM:M_purine vmhM:M_purine_1	secondary/obsolete/fantasy identifier