CHEBI:186190 - 3'-Hydroxytrimethoprim

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3'-Hydroxytrimethoprim
ChEBI ID CHEBI:186190
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H16N4O3
Net Charge 0
Average Mass 276.296
Monoisotopic Mass 276.12224
InChI InChI=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)
InChIKey HWBPOLWLLFXEJY-UHFFFAOYSA-N
SMILES O(C1=CC(CC=2C(=NC(=NC2)N)N)=CC(O)=C1OC)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
11217076 ChemSpider
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Registry Number Type Source
27653-69-6 CAS Registry Number ChemIDplus