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 No supplier information found for this compound. Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C17H32N4O7 Net Charge 0 Average Mass 404.45874 Monoisotopic Mass 404.22710 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 Last Modified 10 January 2012