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CHEBI:41974 - H3[(2R)-HP-DO3A]

ChEBI IDCHEBI:41974
ChEBI NameH3[(2R)-HP-DO3A]
Stars
ASCII NameH3[(2R)-HP-DO3A]
DefinitionAn optically active tricarboxylic acid that consists of 1,4,7,10-tetraazacyclododecane bearing three carboxymethyl substituents at positions 1, 4 and 7 as well as an (R)-2-hydroxypropyl group at position 10.
Secondary ChEBI IDsCHEBI:37389, CHEBI:41969
Last Modified10 January 2012
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC17H32N4O7
Net Charge0
Average Mass404.464
Monoisotopic Mass404.22710
SMILESC[C@@H](O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1
InChIInChI=1S/C17H32N4O7/c1-14(22)10-18-2-4-19(11-15(23)24)6-8-21(13-17(27)28)9-7-20(5-3-18)12-16(25)26/h14,22H,2-13H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t14-/m1/s1
InChIKeyIQUHNCOJRJBMSU-CQSZACIVSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
H3[(2R)-HP-DO3A] (CHEBI:41974) is a H3HP-DO3A (CHEBI:37387)
IUPAC Name 
2,2',2''-{10-[(2R)-2-hydroxypropyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triyl}triacetic acid
Synonym  Source
10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACIDPDBeChem
Manual XrefsDatabases
DO3PDBeChem