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

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4-guanidinobutanoate

	Properties	Image
MNX_ID	MNXM1312
reference	chebi:57486
formula	C₅H₁₁N₃O₂
global charge	0
mol weight	145.162
InChIKey	TUHVEAJXIMEOSA-UHFFFAOYSA-N
InChI	InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8)
SMILES	NC(=[NH2+])NCCCC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8)
SMILES (mnx)	[CH2:1]([CH2:2][C:4](=[O:9])[OH:10])[CH2:3][NH:8][C:5](=[NH:6])[NH2:7]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	6

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57486 chebi:57486 TUHVEAJXIMEOSA-UHFFFAOYSA-N	4-guanidinobutanoate 4-guanidinobutanoic acid zwitterion 4-{[amino(iminio)methyl]amino}butanoate
bigg.metabolite:4gudbutn biggM:4gudbutn TUHVEAJXIMEOSA-UHFFFAOYSA-N	4 Guanidinobutanoate
sabiork.compound:5368 sabiorkM:5368 TUHVEAJXIMEOSA-UHFFFAOYSA-N	4-Guanidinobutanoate
kegg.compound:C01035 keggC:C01035 TUHVEAJXIMEOSA-UHFFFAOYSA-N	4-Guanidinobutanoate 4-Guanidinobutyric acid
seed.compound:cpd00762 seedM:cpd00762 TUHVEAJXIMEOSA-UHFFFAOYSA-N	4-Guanidinobutanoate 4-Guanidinobutyric acid 4-guanidinobutanoate 4-guanidinobutyrate 4-guanido-butyrate 4gubut gamma-guanidinobutyrate
vmhM:4gubut vmhmetabolite:4gubut TUHVEAJXIMEOSA-UHFFFAOYSA-N	4-Guanidinobutanoate 4-[(diaminomethylidene)amino]butanoic acid
hmdb:HMDB0003464 TUHVEAJXIMEOSA-UHFFFAOYSA-N	4-Guanidinobutanoic acid 4-(Carbamimidamido)butanoate 4-(Carbamimidamido)butanoic acid 4-Guanidinobutanoate 4-Guanidinobutyrate 4-Guanidinobutyric acid 4-[(Aminoiminomethyl)amino]butanoate 4-[(Aminoiminomethyl)amino]butanoic acid 4-[(diaminomethylidene)amino]butanoic acid N-(4-Butanoate)guanidine N-(4-Butanoic acid)guanidine g-Guanidinobutyrate g-Guanidinobutyric acid gamma-Guanidinebutyrate gamma-Guanidinebutyric acid gamma-Guanidinobutyrate gamma-Guanidinobutyrate, monosodium salt gamma-Guanidinobutyric acid gamma-guanidinebutyrate gamma-guanidinebutyric acid gamma-guanidinobutyrate gamma-guanidinobutyric acid
CHEBI:86392 chebi:86392 TUHVEAJXIMEOSA-UHFFFAOYSA-M	4-guanidinobutanoate 4-carbamimidamidobutanoate
metacyc.compound:CPD-592 metacycM:CPD-592 TUHVEAJXIMEOSA-UHFFFAOYSA-N	4-guanidinobutanoate 4-guanidinobutyrate 4-guanidinobutyric acid 4-guanido-butyrate gamma-guanidinobutyrate
CHEBI:15728 chebi:15728 TUHVEAJXIMEOSA-UHFFFAOYSA-N	4-guanidinobutanoic acid 4-(carbamimidamido)butanoic acid 4-Guanidinobutanoate 4-Guanidinobutyric acid 4-carbamimidamidobutanoic acid gamma-Guanidinobutyrate gamma-Guanidinobutyric acid
CHEBI:86564 chebi:86564 TUHVEAJXIMEOSA-UHFFFAOYSA-N	4-guanidinobutyric acid 4-(diaminomethylideneamino)butanoic acid 4-carbamimidamidobutanoic acid 4-guanidinobutanoic acid
hmdb:HMDB0005991 hmdb:HMDB03464 hmdb:HMDB05991 chebi:11991 chebi:1834 chebi:20372 biggM:M_4gudbutn keggC:M_C01035 seedM:M_cpd00762 vmhM:M_4gubut	secondary/obsolete/fantasy identifier