CHEBI:88954 - 6-Methylnicotinamide

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ChEBI Name 6-Methylnicotinamide ChEBI ID CHEBI:88954 Stars This entity has been manually annotated by a third party. Supplier Information ZINC000095678261 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C8H10N2O Net Charge 0 Average Mass 150.178 Monoisotopic Mass 150.07931 InChI InChI=1S/C8H10N2O/c1-2-7-6(8(9)11)4-3-5-10-7/h3-5H,2H2,1H3,(H2,9,11) InChIKey GOIWNSRZUNIIRY-UHFFFAOYSA-N SMILES O=C(N)C1=C(N=CC=C1)CC Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed ChEBI Ontology Outgoing 6-Methylnicotinamide (CHEBI:88954) has functional parent nicotinamide (CHEBI:17154) 6-Methylnicotinamide (CHEBI:88954) is a pyridinecarboxamide (CHEBI:25529) Synonym Source 2-ethylpyridine-3-carboxamide HMDB Manual Xref Database HMDB0013704 HMDB View more database links Registry Number Type Source 6960-22-1 CAS Registry Number KEGG COMPOUND Citation Rezzi S, Vera FA, Martin FP, Wang S, Lawler D, Kochhar S (2008) Automated SPE-RP-HPLC fractionation of biofluids combined to off-line NMR spectroscopy for biomarker identification in metabonomics. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 871, 271-278 [PubMed:18439883] [show Abstract] NMR-based metabonomics is a valuable and straightforward approach to measuring hundreds of metabolites in complex biofluids. However, metabolite identification is sometimes limited by overlapped signals in NMR spectra. We describe a new methodology using an automated hyphenation of solid phase extraction (SPE) with RP-HPLC combined to NMR spectroscopy, which allowed identification of 72 metabolites of various molecular classes in human urine. This methodology was also successfully applied to the fractionation of a cat urine sample to aid identification of aromatic compounds and felinine. The SPE-RP-HPLC method appears to be a reliable tool to support biomarker discovery in metabonomic studies.