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

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5-aminoimidazole-4-carboxylic acid

	Properties	Image
MNX_ID	MNXM4389
reference	chebi:28280
formula	C₄H₅N₃O₂
global charge	0
mol weight	127.103
InChIKey	PWCLNQLPYQVWAB-UHFFFAOYSA-N
InChI	InChI=1S/C4H5N3O2/c5-3-2(4(8)9)6-1-7-3/h1H,5H2,(H,6,7)(H,8,9)
SMILES	NC1=C(C(=O)O)N=CN1

MNX internals

InChI (mnx)	InChI=1/C4H5N3O2/c5-3-2(4(8)9)6-1-7-3/h1H,5H2,(H,6,7)(H,8,9)
SMILES (mnx)	[CH:1]1=[N:6][C:2]([C:4](=[O:8])[OH:9])=[C:3]([NH2:5])[NH:7]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28280 chebi:28280 PWCLNQLPYQVWAB-UHFFFAOYSA-N	5-aminoimidazole-4-carboxylic acid 4-Amino-5-imidazolecarboxylic acid 5-Amino-4-imidazole carboxylate 5-amino-1H-imidazole-4-carboxylic acid
vmhM:4a5ic vmhmetabolite:4a5ic PWCLNQLPYQVWAB-UHFFFAOYSA-N	4-Amino-5-imidazolecarboxylic acid
kegg.compound:C05516 keggC:C05516 PWCLNQLPYQVWAB-UHFFFAOYSA-N	5-Amino-4-imidazole carboxylate 4-Amino-5-imidazolecarboxylic acid
seed.compound:cpd03281 seedM:cpd03281 PWCLNQLPYQVWAB-UHFFFAOYSA-N	5-Amino-4-imidazole carboxylate 4-Amino-5-imidazolecarboxylic acid 4-amino-5-imidazole carboxylate 4-aminoimidazole-5-carboxylate 5-amino-4-imidazole carboxylate 5-aminoimidazole-4-carboxylate
metacyc.compound:4-AMINO-5-IMIDAZOLE_CARBOXYLATE metacycM:4-AMINO-5-IMIDAZOLE_CARBOXYLATE PWCLNQLPYQVWAB-UHFFFAOYSA-N	5-aminoimidazole-4-carboxylate 4-aminoimidazole-5-carboxylate
envipath:...31b3f3adb5be envipathM:...31b3f3adb5be PWCLNQLPYQVWAB-UHFFFAOYSA-M	compound 0064590
chebi:2029 chebi:20545 keggC:M_C05516 seedM:M_cpd03281 vmhM:M_4a5ic	secondary/obsolete/fantasy identifier