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DOTA

Go to external page http://purl.obolibrary.org/obo/CHEBI_61028

An azamacrocyle in which four nitrogen atoms at positions 1, 4, 7 and 10 of a twelve-membered ring are each substituted with a carboxymethyl group.

Term info

Label

DOTA

Synonyms
  • 2,2',2'',2'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
2,2',2'',2'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetic acid [ IUPAC ]

charge

0

formula

C16H28N4O8

has obo namespace

chebi_ontology

has related synonym

1,4,7,10-Dota, DOTA acid, 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, Tetraxetan, ,4,7,10-Tetraazacyclododecane-N,N',N'',N'''-tetraacetic acid, 2,2',2',2'''-(1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetryl)tetraacetic acid

id

CHEBI:61028

inchi

InChI=1S/C16H28N4O8/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)

inchikey

WDLRUFUQRNWCPK-UHFFFAOYSA-N

mass

404.41550

monoisotopicmass

404.19071

smiles

OC(=O)CN1CCN(CCN(CCN(CC1)CC(O)=O)CC(O)=O)CC(O)=O