CHEBI:35739 - pentetic acid

ChEBI IDCHEBI:35739
ChEBI Namepentetic acid
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Last Modified12 November 2020
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC14H23N3O10
Net Charge0
Average Mass393.349
Monoisotopic Mass393.13834
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)
InChIKeyQPCDCPDFJACHGM-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Roles:
copper chelator  A chelator that is any compound containing a ligand (typically organic) which is able to form a bond to a central copper atom at two or more points.
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
pentetic acid (CHEBI:35739) has role copper chelator (CHEBI:166831)
pentetic acid (CHEBI:35739) is a pentacarboxylic acid (CHEBI:35743)
pentetic acid (CHEBI:35739) is conjugate acid of pentetate(1−) (CHEBI:35764)
Incoming Relation(s)
pentetate(1−) (CHEBI:35764) is conjugate base of pentetic acid (CHEBI:35739)
IUPAC Names 
2,2',2'',2''',2''''-(ethane-1,2-diylnitrilo)pentaacetic acid
N,N-bis{2-[bis(carboxymethyl)amino]ethyl}glycine
Synonyms  Source
1,1,4,7,7-diethylenetriaminepentaacetic acidNIST Chemistry WebBook
[[(carboxymethyl)imino]bis(1,2-ethanediylnitrilo)tetraacetic acid]IUPAC
Complexon VChemIDplus
diethylenetriamine-N,N,N',N'',N''-pentaacetic acidNIST Chemistry WebBook
diethylenetriaminepentaacetic acidNIST Chemistry WebBook
diethylenetriaminepentacetic acidNIST Chemistry WebBook
Manual XrefsDatabases
2092DrugCentral
LSM-5524LINCS
PentetateWikipedia
Registry NumbersSources
Beilstein:1810219Beilstein
Gmelin:41509Gmelin
CAS:67-43-6NIST Chemistry WebBook
CAS:67-43-6ChemIDplus