Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	54237
Common Name:	Ethylene glycol bis(2-aminoethyl)tetraacetic acid
Systematic Name:	2,2',2'',2'''-[ethane-1,2-diylbis(oxyethane-2,1-diylnitrilo)]tetraacetic acid
Synonyms:	3,12-bis(carboxymethyl)-6,9-dioxa-3,12-diazatetradecanedioic acid; EGTA; Egtazic acid; H4egta; [ethylenebis(oxyethylenenitrilo)]tetraacetic acid; ethylene glycol bis(beta-aminoethyl ether)-N,N,N',N'-tetraacetic acid; ethylene glycol-O,O'-bis(2-aminoethyl)-N,N,N',N'-tetraacetic acid [PubChem Synonyms]
Exact Mass:	380.1431 (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:	C14H24N2O10
InChIKey:	DEFVIWRASFVYLL-UHFFFAOYSA-N
ClassyFire superclass:	Organic acids and derivatives [C0000264]
ClassyFire class:	Carboxylic acids and derivatives [C0000265]
ClassyFire subclass:	Tetracarboxylic acids and derivatives [C0002966]
ClassyFire direct parent:	Tetracarboxylic acids and derivatives [C0002966]
SMILES:	C(COCCOCCN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
Studies:	-

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PubChem CID:	6207
CHEBI ID:	30740
HMDB ID:	HMDB0251718
BMRB ID:	bmse001011
Plant Metabolite Hub(Pmhub):	MS000000584

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