Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	51009
Common Name:	N(2)-succinyl-L-arginine
Systematic Name:	(2S)-5-carbamimidamido-2-[(3-carboxypropanoyl)amino]pentanoic acid;N(2)-(3-carboxypropanoyl)-L-arginine
RefMet Name:	N2-Succinoylarginine
Synonyms:	N(alpha)-succinyl-L-arginine [PubChem Synonyms]
Exact Mass:	274.1277 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C10H18N4O5
InChIKey:	UMOXFSXIFQOWTD-LURJTMIESA-N
ClassyFire superclass:	Organic acids and derivatives [C0000264]
ClassyFire class:	Carboxylic acids and derivatives [C0000265]
ClassyFire subclass:	Amino acids, peptides, and analogues [C0000013]
ClassyFire direct parent:	N-acyl-alpha amino acids [C0002402]
SMILES:	C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CNC(=N)N
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	439968
CHEBI ID:	17705
HMDB ID:	HMDB0032764
EPA CompTox DB:	DTXCID501437271
Plant Metabolite Hub(Pmhub):	MS000017884

Calculated physicochemical properties (?):

Heavy Atoms:	19
Rings:	0
Aromatic Rings:	0
Rotatable Bonds:	10
van der Waals Molecular volume:	258.95 Å3 molecule-1
Toplogical Polar Sufrace Area:	165.60 Å2 molecule-1
Hydrogen Bond Donors:	6
Hydrogen Bond Acceptors:	5
logP:	-0.74
Molar Refractivity:	66.59
Fraction sp3 Carbons:	0.60
sp3 Carbons:	6

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y