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CHEBI:47236 - (2S)-2-(3-{2-bromo-5-[(2,4-diaminopyrimidin-1-ium-5-yl)methyl]-3-methoxyphenoxy}propyl)pentanedioate

ChEBI IDCHEBI:47236
ChEBI Name(2S)-2-(3-{2-bromo-5-[(2,4-diaminopyrimidin-1-ium-5-yl)methyl]-3-methoxyphenoxy}propyl)pentanedioate
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ASCII Name(2S)-2-(3-{2-bromo-5-[(2,4-diaminopyrimidin-1-ium-5-yl)methyl]-3-methoxyphenoxy}propyl)pentanedioate
Last Modified19 February 2008
DownloadsMolfile
FormulaC20H24BrN4O6
Net Charge-1
Average Mass496.338
Monoisotopic Mass495.08847
SMILES[H]c1c(OC([H])([H])[H])c(Br)c(OC([H])([H])C([H])([H])C([H])([H])[C@]([H])(C(=O)[O-])C([H])([H])C([H])([H])C(=O)[O-])c([H])c1C([H])([H])c1c(N([H])[H])nc(N([H])[H])[n+]([H])c1[H]
InChIInChI=1S/C20H25BrN4O6/c1-30-14-8-11(7-13-10-24-20(23)25-18(13)22)9-15(17(14)21)31-6-2-3-12(19(28)29)4-5-16(26)27/h8-10,12H,2-7H2,1H3,(H,26,27)(H,28,29)(H4,22,23,24,25)/p-1/t12-/m0/s1
InChIKeySZAVCZNFKJSWRN-LBPRGKRZSA-M
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-(3-{2-bromo-5-[(2,4-diaminopyrimidin-1-ium-5-yl)methyl]-3-methoxyphenoxy}propyl)pentanedioate (CHEBI:47236) has functional parent glutaric acid (CHEBI:17859)
(2S)-2-(3-{2-bromo-5-[(2,4-diaminopyrimidin-1-ium-5-yl)methyl]-3-methoxyphenoxy}propyl)pentanedioate (CHEBI:47236) is a aminopyrimidine (CHEBI:38338)
(2S)-2-(3-{2-bromo-5-[(2,4-diaminopyrimidin-1-ium-5-yl)methyl]-3-methoxyphenoxy}propyl)pentanedioate (CHEBI:47236) is a organobromine compound (CHEBI:37141)
Synonyms  Source
BRODIMOPRIM-4,6-DICARBOXYLATEPDBeChem
(2S)-2-(3-{2-bromo-5-[(2,4-diaminopyrimidin-1-ium-5-yl)methyl]-3-methoxyphenoxy}propyl)pentanedioatePDBeChem
Manual XrefsDatabases
BDMPDBeChem