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CHEBI:138886 - prinomastat(1+)

ChEBI IDCHEBI:138886
ChEBI Nameprinomastat(1+)
Stars
DefinitionAn organic cation resulting from the protonation of prinomastat.
Last Modified27 October 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaH.C18H21N3O5S2
Net Charge+1
Average Mass424.524
Monoisotopic Mass424.09954
SMILESCC1(C)SCCN(S(=O)(=O)c2ccc(Oc3ccncc3)cc2)[C@H]1C(=O)NO.[H+]
InChIInChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/p+1/t16-/m0/s1
InChIKeyYKPYIPVDTNNYCN-INIZCTEOSA-O
ChEBI Ontology
Outgoing Relation(s)
prinomastat(1+) (CHEBI:138886) is a organic cation (CHEBI:25697)
prinomastat(1+) (CHEBI:138886) is conjugate acid of prinomastat (CHEBI:138885)
Incoming Relation(s)
prinomastat hydrochloride (CHEBI:138841) has part prinomastat(1+) (CHEBI:138886)
prinomastat (CHEBI:138885) is conjugate base of prinomastat(1+) (CHEBI:138886)