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CHEBI:37387 - H3HP-DO3A

ChEBI IDCHEBI:37387
ChEBI NameH3HP-DO3A
Stars
ASCII NameH3HP-DO3A
DefinitionA tricarboxylic acid that consists of 1,4,7,10-tetraazacyclododecane bearing three carboxymethyl substituents at positions 1, 4 and 7 as well as a 2-hydroxypropyl group at position 10.
Last Modified10 January 2012
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC17H32N4O7
Net Charge0
Average Mass404.464
Monoisotopic Mass404.22710
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)
InChIKeyIQUHNCOJRJBMSU-UHFFFAOYSA-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)
H3HP-DO3A (CHEBI:37387) has parent hydride 1,4,7,10-tetraazacyclododecane (CHEBI:37391)
H3HP-DO3A (CHEBI:37387) is a tricarboxylic acid (CHEBI:27093)
H3HP-DO3A (CHEBI:37387) is conjugate acid of HP-DO3A(3−) (CHEBI:37388)
Incoming Relation(s)
H3[(2R)-HP-DO3A] (CHEBI:41974) is a H3HP-DO3A (CHEBI:37387)
HP-DO3A(3−) (CHEBI:37388) is conjugate base of H3HP-DO3A (CHEBI:37387)
IUPAC Name 
2,2',2''-[10-(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl]triacetic acid
INN  Source
calteridolChemIDplus
Synonym  Source
10-(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acidChEBI
Registry NumbersSources
Gmelin:664973Gmelin
Reaxys:7605409Reaxys
CAS:132722-73-7ChemIDplus