CHEBI:82564 - 4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone
ChEBI ID CHEBI:82564
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C10H13N3O3
Net Charge 0
Average Mass 223.22850
Monoisotopic Mass 223.09569
InChI InChI=1S/C10H13N3O3/c1-13(12-16)10(15)5-4-9(14)8-3-2-6-11-7-8/h2-3,6-7,10,15H,4-5H2,1H3
InChIKey UIPLZNGNFRQXQE-UHFFFAOYSA-N
SMILES CN(N=O)C(O)CCC(=O)c1cccnc1
ChEBI Ontology
Outgoing 4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone (CHEBI:82564) is a aromatic ketone (CHEBI:76224)
Manual Xrefs Databases
C19566 KEGG COMPOUND
HMDB0062404 HMDB
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