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

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beta-alanyl-L-arginine

	Properties	Image
MNX_ID	MNXM7111
reference	chebi:143157
formula	C₉H₂₀N₅O₃
global charge	1
mol weight	246.291
InChIKey	DLRGFJGVZXSSTP-LURJTMIESA-O
InChI	InChI=1S/C9H19N5O3/c10-4-3-7(15)14-6(8(16)17)2-1-5-13-9(11)12/h6H,1-5,10H2,(H,14,15)(H,16,17)(H4,11,12,13)/p+1/t6-/m0/s1
SMILES	NC(=[NH2+])NCCC[C@H](NC(=O)CC[NH3+])C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C9H19N5O3/c10-4-3-7(15)14-6(8(16)17)2-1-5-13-9(11)12/h6H,1-5,10H2,(H,14,15)(H,16,17)(H4,11,12,13)/t6-/m0/s1
SMILES (mnx)	[CH2:1]([CH2:2][C@@H:6]([C:8](=[O:16])[OH:17])[N:14]=[C:7]([CH2:3][CH2:4][NH2:10])[OH:15])[CH2:5][NH:13][C:9](=[NH:11])[NH2:12]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:143157 chebi:143157 DLRGFJGVZXSSTP-LURJTMIESA-O	beta-alanyl-L-arginine (2S)-5-{[amino(iminio)methyl]amino}-2-(3-azaniumylpropanamido)pentanoate beta-alanyl-L-Arg(1+) beta-alanyl-L-arginine(1+) beta-alanyl-L-argininium betaAla-Arg(1+)
seed.compound:cpd03167 seedM:cpd03167 sabiork.compound:2774 sabiorkM:2774 kegg.compound:C05340 keggC:C05340 DLRGFJGVZXSSTP-LURJTMIESA-N DLRGFJGVZXSSTP-LURJTMIESA-O	beta-Alanyl-L-arginine
hmdb:HMDB0060441 DLRGFJGVZXSSTP-LURJTMIESA-N	beta-Alanyl-L-arginine (2S)-2-[(3-amino-1-hydroxypropylidene)amino]-5-carbamimidamidopentanoic acid (2S)-5-{[amino(imino)methyl]amino}-2-[(3-aminopropanoyl)amino]pentanoate (2S)-5-{[amino(imino)methyl]amino}-2-[(3-aminopropanoyl)amino]pentanoic acid BetaAla-arg b-Alanyl-L-arginine beta-alanyl-L-arginine
CHEBI:28712 chebi:28712 DLRGFJGVZXSSTP-LURJTMIESA-N	beta-alanyl-L-arginine (2S)-5-{[amino(imino)methyl]amino}-2-[(3-aminopropanoyl)amino]pentanoic acid beta-Alanyl-L-arginine betaAla-Arg
hmdb:HMDB60441 chebi:10347 chebi:22826 keggC:M_C05340 seedM:M_cpd03167	secondary/obsolete/fantasy identifier