Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	51994
Common Name:	N(alpha)-gamma-L-glutamylhistamine
Systematic Name:	N(5)-[2-(1H-imidazol-4-yl)ethyl]-L-glutamine
RefMet Name:	N(alpha)-gamma-Glutamylhistamine
Synonyms:	N(alpha)-(L-glutam-5-yl)histamine [PubChem Synonyms]
Exact Mass:	240.1222 (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:	C10H16N4O3
InChIKey:	BGNAGOFSEBNIJN-QMMMGPOBSA-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:	Glutamine and derivatives [C0004315]
SMILES:	C(CC(=O)NCCc1c[nH]cn1)[C@@H](C(=O)O)N
Studies:	Available studies (via RefMet name)

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PubChem CID:	440238
CHEBI ID:	30307
MetaCyc ID:	NALPHA-GAMMA-L-GLUTAMYLHISTAMINE

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