CHEBI:37387 - H3HP-DO3A

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ChEBI Name H3HP-DO3A
ChEBI ID CHEBI:37387
ChEBI ASCII Name H3HP-DO3A
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H32N4O7
Net Charge 0
Average Mass 404.45874
Monoisotopic Mass 404.227
InChI InChI=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)
InChIKey IQUHNCOJRJBMSU-UHFFFAOYSA-N
SMILES CC(O)CN1CCN(CCN(CCN(CC1)CC(O)=O)CC(O)=O)CC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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
calteridol ChemIDplus
Synonym Source
10-(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid ChEBI
Registry Numbers Types Sources
132722-73-7 CAS Registry Number ChemIDplus
664973 Gmelin Registry Number Gmelin
7605409 Reaxys Registry Number Reaxys
7605409 Beilstein Registry Number Beilstein
Last Modified
10 January 2012