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

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3-guanidinopropanoate

	Properties	Image
MNX_ID	MNXM4332
reference	chebi:57593
formula	C₄H₉N₃O₂
global charge	0
mol weight	131.135
InChIKey	KMXXSJLYVJEBHI-UHFFFAOYSA-N
InChI	InChI=1S/C4H9N3O2/c5-4(6)7-2-1-3(8)9/h1-2H2,(H,8,9)(H4,5,6,7)
SMILES	NC(=[NH2+])NCCC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C4H9N3O2/c5-4(6)7-2-1-3(8)9/h1-2H2,(H,8,9)(H4,5,6,7)
SMILES (mnx)	[CH2:1]([CH2:2][NH:7][C:4](=[NH:5])[NH2:6])[C:3](=[O:8])[OH:9]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57593 chebi:57593 KMXXSJLYVJEBHI-UHFFFAOYSA-N	3-guanidinopropanoate 3-guanidinopropanoic acid zwitterion 3-{[amino(iminio)methyl]amino}propanoate
sabiork.compound:2648 sabiorkM:2648 KMXXSJLYVJEBHI-UHFFFAOYSA-N	3-Guanidinopropanoate
seed.compound:cpd01962 seedM:cpd01962 KMXXSJLYVJEBHI-UHFFFAOYSA-N	3-Guanidinopropanoate 3-guanidinopropanoate 3-guanidinopropionate Guanidinopropionic acid
kegg.compound:C03065 keggC:C03065 KMXXSJLYVJEBHI-UHFFFAOYSA-N	3-Guanidinopropanoate Guanidinopropionic acid
metacyc.compound:CPD-594 metacycM:CPD-594 KMXXSJLYVJEBHI-UHFFFAOYSA-N	3-guanidinopropanoate 3-guanidinopropionate
CHEBI:15968 chebi:15968 KMXXSJLYVJEBHI-UHFFFAOYSA-N	3-guanidinopropanoic acid 3-Guanidinopropanoate 3-carbamimidamidopropanoic acid N-[amino(imino)methyl]-beta-alanine beta-GPA beta-guanidinopropionic acid
hmdb:HMDB0013222 KMXXSJLYVJEBHI-UHFFFAOYSA-N	Beta-Guanidinopropionic acid 3-Guanidinopropanoate 3-Guanidinopropanoic acid 3-Guanidinopropionic acid 3-carbamimidamidopropanoic acid 3-guanidinopropanoic acid Amidino beta-alanine Guanidine propionate Guanidinopropionate Guanidinopropionic acid N-[Amino(imino)methyl]-b-alanine N-[Amino(imino)methyl]-beta-alanine b-GPA b-Guanidinopropionate b-Guanidinopropionic acid beta-GPA beta-Guanadinopropionate beta-Guanidine propionic acid beta-Guanidinopropionate beta-Guanidinopropionic acid beta-Guanidinopropionic acid. beta-gpa beta-guanidinopropionate beta-guanidinopropionic acid
kegg.drug:D12779 keggD:D12779 KMXXSJLYVJEBHI-UHFFFAOYSA-N	Ompenaclid (USAN/INN) 3-Guanidinopropionic acid
hmdb:HMDB13222 chebi:11797 chebi:1507 chebi:20026 keggC:M_C03065 keggD:M_D12779 seedM:M_cpd01962	secondary/obsolete/fantasy identifier