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
ClassyFire class:	Carboxylic acids and derivatives
ClassyFire subclass:	Tetracarboxylic acids and derivatives
ClassyFire direct parent:	Tetracarboxylic acids and derivatives
SMILES:	C(COCCOCCN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
Studies:	Available studies(via PubChem CID)

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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
NPClassifier classification: "NPClassifier: A Deep Neural Network-Based Structural Classification Tool for Natural Products", Kim HW, Wang M, Leber CA, Nothias LF, Reher R, Kang KB, van der Hooft JJJ, Dorrestein PC, Gerwick WH and Cottrell GW. J Nat Prod. 2021 Nov 26;84(11):2795-2807.DOI: 10.1021/acs.jnatprod.1c00399.