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CHEBI:37388 - HP-DO3A(3−)

ChEBI IDCHEBI:37388
ChEBI NameHP-DO3A(3−)
Stars
ASCII NameHP-DO3A(3-)
DefinitionA tricarboxylic acid trianion obtained by deprotonation of the three carboxy groups of 2,2',2''-[10-(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl]triacetic acid (HP-DO3A).
Last Modified1 December 2011
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC17H29N4O7
Net Charge-3
Average Mass401.440
Monoisotopic Mass401.20527
SMILESCC(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)/p-3
InChIKeyIQUHNCOJRJBMSU-UHFFFAOYSA-K
ChEBI Ontology
Outgoing Relation(s)
HP-DO3A(3−) (CHEBI:37388) is a tricarboxylic acid trianion (CHEBI:27092)
HP-DO3A(3−) (CHEBI:37388) is conjugate base of H3HP-DO3A (CHEBI:37387)
Incoming Relation(s)
H3HP-DO3A (CHEBI:37387) is conjugate acid of HP-DO3A(3−) (CHEBI:37388)
IUPAC Name 
2,2',2''-[10-(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl]triacetate
Synonym  Source
HP-DO3AChEBI
Registry NumbersSources
Gmelin:699310Gmelin