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CHEBI:186190 - 3'-Hydroxytrimethoprim

ChEBI IDCHEBI:186190
ChEBI Name3'-Hydroxytrimethoprim
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16N4O3
Net Charge0
Average Mass276.296
Monoisotopic Mass276.12224
SMILESCOc1cc(Cc2cnc(N)nc2N)cc(O)c1OC
InChIInChI=1S/C13H16N4O3/c1-19-10-5-7(4-9(18)11(10)20-2)3-8-6-16-13(15)17-12(8)14/h4-6,18H,3H2,1-2H3,(H4,14,15,16,17)
InChIKeyHWBPOLWLLFXEJY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
3'-Hydroxytrimethoprim (CHEBI:186190) is a methoxybenzenes (CHEBI:51683)
3'-Hydroxytrimethoprim (CHEBI:186190) is a phenols (CHEBI:33853)
IUPAC Name 
5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenol
Manual XrefsDatabases
11217076ChemSpider
Registry NumbersSources
CAS:27653-69-6ChemIDplus