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

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ammeline

	Properties	Image
MNX_ID	MNXM2637
reference	chebi:28646
formula	C₃H₅N₅O
global charge	0
mol weight	127.107
InChIKey	MASBWURJQFFLOO-UHFFFAOYSA-N
InChI	InChI=1S/C3H5N5O/c4-1-6-2(5)8-3(9)7-1/h(H5,4,5,6,7,8,9)
SMILES	NC1=NC(N)=NC(O)=N1

MNX internals

InChI (mnx)	InChI=1/C3H5N5O/c4-1-6-2(5)8-3(9)7-1/h(H5,4,5,6,7,8,9)
SMILES (mnx)	[C:1]1(=[NH:4])[NH:6][C:2](=[NH:5])[NH:8][C:3]([OH:9])=[N:7]1

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:28646 chebi:28646 MASBWURJQFFLOO-UHFFFAOYSA-N	ammeline 2-Hydroxy-4,6-diamino-1,3,5-triazine 4,6-diamino-1,3,5-triazin-2-ol Ammeline
envipath:...0fae8ae9c4a6 envipathM:...0fae8ae9c4a6 MASBWURJQFFLOO-UHFFFAOYSA-N	2-Hydroxy-4,6-diamino-1,3,5-triazine
seed.compound:cpd05638 seedM:cpd05638 MASBWURJQFFLOO-UHFFFAOYSA-N	Ammeline 2,4-diamino-1,3,5-triazin-6-one 2-Hydroxy-4,6-diamino-1,3,5-triazine 4,6-diamino-1,3,5-triazin-2-ol ammelin ammeline
kegg.compound:C08733 keggC:C08733 MASBWURJQFFLOO-UHFFFAOYSA-N	Ammeline 2-Hydroxy-4,6-diamino-1,3,5-triazine
envipath:...8138610c4296 envipathM:...8138610c4296 MASBWURJQFFLOO-UHFFFAOYSA-N	MT21
metacyc.compound:CPD-7399 metacycM:CPD-7399 MASBWURJQFFLOO-UHFFFAOYSA-N	ammeline 2,4-diamino-1,3,5-triazin-6-one 4,6-diamino-1,3,5-triazin-2-ol ammelin
envipath:...13bb405ef7a4 envipathM:...13bb405ef7a4 MASBWURJQFFLOO-UHFFFAOYSA-N	compound 0059140
envipath:...c9a9cc72d1d6 envipathM:...c9a9cc72d1d6 MASBWURJQFFLOO-UHFFFAOYSA-N	compound 0067523
chebi:1125 chebi:19607 keggC:M_C08733 seedM:M_cpd05638	secondary/obsolete/fantasy identifier