Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	71242
Common Name:	gamma-Glutamyl-Se-methylselenocysteine
Systematic Name:	(2S)-2-amino-5-[(1-carboxy-2-methylselanyl-ethyl)amino]-5-oxo-pentanoic acid
RefMet Name:	gamma-Glutamyl-Se-methylselenocysteine
Synonyms:	5-L-Glutamyl-Se-methylselenocysteine; C05695 [PubChem Synonyms]
Exact Mass:	312.0224 (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:	C9H16N2O5Se
InChIKey:	IEFQLTYCECVOLL-ZBHICJROSA-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:	Dipeptides [C0004830]
SMILES:	C[Se]CC(C(=O)O)NC(=O)CC[C@@H](C(=O)O)N
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	49787003
CHEBI ID:	28776
HMDB ID:	HMDB0010716
KEGG ID:	C05695
Plant Metabolite Hub(Pmhub):	MS000018833

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