CHEBI:138886 - prinomastat(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name prinomastat(1+)
ChEBI ID CHEBI:138886
Definition An organic cation resulting from the protonation of prinomastat.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C18H22N3O5S2
Net Charge +1
Average Mass 424.517
Monoisotopic Mass 424.09954
InChI InChI=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
InChIKey YKPYIPVDTNNYCN-INIZCTEOSA-O
SMILES S(=O)(=O)(N1[C@H](C(SCC1)(C)C)C(=O)NO)C2=CC=C(OC3=CC=NC=C3)C=C2.[H+]
ChEBI Ontology
Outgoing prinomastat(1+) (CHEBI:138886) is a organic cation (CHEBI:25697)
prinomastat(1+) (CHEBI:138886) is conjugate acid of prinomastat (CHEBI:138885)
Incoming prinomastat hydrochloride (CHEBI:138841) has part prinomastat(1+) (CHEBI:138886)
prinomastat (CHEBI:138885) is conjugate base of prinomastat(1+) (CHEBI:138886)
Last Modified
27 October 2017