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

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agmatine

	Properties	Image
MNX_ID	MNXM328
reference	chebi:58145
formula	C₅H₁₆N₄
global charge	2
mol weight	132.211
InChIKey	QYPPJABKJHAVHS-UHFFFAOYSA-P
InChI	InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)/p+2
SMILES	NC(=[NH2+])NCCCC[NH3+]

MNX internals

InChI (mnx)	InChI=1/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
SMILES (mnx)	[CH2:1]([CH2:2][CH2:4][NH:9][C:5](=[NH:7])[NH2:8])[CH2:3][NH2:6]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	29
in models (compartimentalized)	26

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-351164 reactomeM:R-ALL-351164 reactome:R-ALL-549309 reactomeM:R-ALL-549309 CHEBI:58145 chebi:58145 QYPPJABKJHAVHS-UHFFFAOYSA-P	agmatine agmatinium agmatinium dication agmatinium(2+) {amino[(4-azaniumylbutyl)amino]methylidene}azanium
bigg.metabolite:agm biggM:agm QYPPJABKJHAVHS-UHFFFAOYSA-P	Agmatine
kegg.compound:C00179 keggC:C00179 QYPPJABKJHAVHS-UHFFFAOYSA-N	Agmatine (4-Aminobutyl) guanidine
hmdb:HMDB0001432 QYPPJABKJHAVHS-UHFFFAOYSA-N	Agmatine (4-Aminobutyl) guanidine (4-Aminobutyl)-guanidine (4-Aminobutyl)guanidine 1 Amino 4 guanidinobutane 1-(4-Aminobutyl)guanidine 1-Amino-4-guanidinobutane 1-Amino-4-guanidobutane 4-(Aminobutyl)guanidine 4-Guanidino-1-butanamine Agmatinium Argmatine N-(4-Aminobutyl)guanidine N-(4-aminobutyl)guanidine N-(Aminoiminomethyl)-1,4-butanediamine N-4-Aminobutylguanidine agmatine
sabiork.compound:4059 sabiorkM:4059 QYPPJABKJHAVHS-UHFFFAOYSA-N	Agmatine (4-Aminobutyl) guanidine (4-Aminobutyl)guanidine
seed.compound:cpd00152 seedM:cpd00152 QYPPJABKJHAVHS-UHFFFAOYSA-P	Agmatine (4-Aminobutyl) guanidine agm agmatine guanidine, (4-aminobutyl)-
CHEBI:17431 chebi:17431 QYPPJABKJHAVHS-UHFFFAOYSA-N	agmatine (4-Aminobutyl) guanidine (4-aminobutyl)guanidine 1-(4-aminobutyl)guanidine Agmatine N-(4-aminobutyl)guanidine
metacyc.compound:AGMATHINE metacycM:AGMATHINE QYPPJABKJHAVHS-UHFFFAOYSA-P	agmatine guanidine, (4-aminobutyl)-
vmhM:agm vmhmetabolite:agm QYPPJABKJHAVHS-UHFFFAOYSA-P	agmatinium(2+) N-(4-aminobutyl)guanidine
hmdb:HMDB0060259 hmdb:HMDB01432 hmdb:HMDB60259 chebi:13747 chebi:18576 chebi:2514 chebi:40556 biggM:M_agm keggC:M_C00179 seedM:M_cpd00152 vmhM:M_agm	secondary/obsolete/fantasy identifier