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CHEBI:59056 - EDTA methidiumpropylamide

ChEBI IDCHEBI:59056
ChEBI NameEDTA methidiumpropylamide
Stars
DefinitionA combined intercalating and chelating reagent. The iron chelate, prepared by adding Fe(NH4)2(SO4)2, effects random oxidative cleavage of DNA in the presence of O2 and a reducing agent. This activity is useful as a footprinting probe.
Last Modified22 March 2010
DownloadsMolfile
FormulaC33H39N7O7
Net Charge0
Average Mass645.717
Monoisotopic Mass645.29110
SMILESC[n+]1c(-c2ccc(NCCCNC(=O)CN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)O)cc2)c2cc(N)ccc2c2ccc(N)cc21
InChIInChI=1S/C33H39N7O7/c1-38-28-16-23(35)6-10-26(28)25-9-5-22(34)15-27(25)33(38)21-3-7-24(8-4-21)36-11-2-12-37-29(41)17-39(18-30(42)43)13-14-40(19-31(44)45)20-32(46)47/h3-10,15-16H,2,11-14,17-20,34H2,1H3,(H6,35,36,37,41,42,43,44,45,46,47)
InChIKeyPFGGLNMBUNROLG-UHFFFAOYSA-N
Roles Classification
Chemical Role:
chelator  A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate.
ChEBI Ontology
Outgoing Relation(s)
EDTA methidiumpropylamide (CHEBI:59056) has role chelator (CHEBI:38161)
EDTA methidiumpropylamide (CHEBI:59056) is a phenanthridines (CHEBI:51245)
IUPAC Name 
[(carboxymethyl){2-[(carboxymethyl){2-[(3-{[4-(3,8-diamino-5-methylphenanthridinium-6-yl)phenyl]amino}propyl)amino]-2-oxoethyl}amino]ethyl}amino]acetate