EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:35745 - pentetate(5−)

ChEBI IDCHEBI:35745
ChEBI Namepentetate(5−)
Stars
ASCII Namepentetate(5-)
Last Modified18 July 2006
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC14H18N3O10
Net Charge-5
Average Mass388.309
Monoisotopic Mass388.10196
SMILESO=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-]
InChIInChI=1S/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)/p-5
InChIKeyQPCDCPDFJACHGM-UHFFFAOYSA-I
ChEBI Ontology
Outgoing Relation(s)
pentetate(5−) (CHEBI:35745) is a pentacarboxylic acid anion (CHEBI:35755)
pentetate(5−) (CHEBI:35745) is conjugate base of pentetate(4−) (CHEBI:35760)
Incoming Relation(s)
pentetate(4−) (CHEBI:35760) is conjugate acid of pentetate(5−) (CHEBI:35745)
IUPAC Name 
2,2',2'',2''',2''''-(ethane-1,2-diylnitrilo)pentaacetate
Synonyms  Source
dtpaIUPAC
N,N-bis(2-(bis(carboxymethyl)amino)ethyl)glycine ion(5−)ChemIDplus
dtpa5−ChEBI
N,N,N',N'',N''-diethylenetriaminepentaacetateChEBI
diethylenetriaminepentaacetateIUPAC
Registry NumbersSources
Beilstein:3759285Beilstein
Gmelin:271646Gmelin
CAS:14047-41-7ChemIDplus
CAS:14047-41-7NIST Chemistry WebBook