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CHEBI:231218 - 1-(4-(5-Maleimidopentyl)aminobenzyl)ethylenediaminetetraacetic acid

ChEBI IDCHEBI:231218
ChEBI Name1-(4-(5-Maleimidopentyl)aminobenzyl)ethylenediaminetetraacetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34N4O10
Net Charge0
Average Mass562.576
Monoisotopic Mass562.22749
SMILESO=C(O)CN(CC(=O)O)CC(Cc1ccc(NCCCCCN2C(=O)C=CC2=O)cc1)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C26H34N4O10/c31-21-8-9-22(32)30(21)11-3-1-2-10-27-19-6-4-18(5-7-19)12-20(29(16-25(37)38)17-26(39)40)13-28(14-23(33)34)15-24(35)36/h4-9,20,27H,1-3,10-17H2,(H,33,34)(H,35,36)(H,37,38)(H,39,40)
InChIKeyAWYSNGNHQFFZEX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
1-(4-(5-Maleimidopentyl)aminobenzyl)ethylenediaminetetraacetic acid (CHEBI:231218) has functional parent tetracarboxylic acid (CHEBI:35742)
1-(4-(5-Maleimidopentyl)aminobenzyl)ethylenediaminetetraacetic acid (CHEBI:231218) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
2-[[2-[bis(carboxymethyl)amino]-3-[4-[5-(2,5-dioxopyrrol-1-yl)pentylamino]phenyl]propyl]-(carboxymethyl)amino]acetic acid
Manual XrefsDatabases
HMDB0244700HMDB
117359ChemSpider