Nicotinuric acid

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Systematic / IUPAC Name: 2-(Pyridine-3-carbonylamino)acetic acid

ID: Reference520

Other Names: 2-(Nicotinamido)acetic acid;
2-[(3-Pyridinylcarbonyl)amino]acetic acid;
2-(3-Pyridylcarbonylamino)acetic acid;
2-(Pyridin-3-Yl-formamido)acetic acid;
Nicotinuric acid ; more

Formula: C8H8N2O3

Class: Endogenous Metabolites

Spectral Data

Nicotinuric acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 277
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 2/2/2015 8:15:38 AM
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Identificators

InChI InChI=1S/C8H8N2O3/c11-7(12)5-10-8(13)6-2-1-3-9-4-6/h1-4H,5H2,(H,10,13)(H,11,12)
InChI Key ZBSGKPYXQINNGF-UHFFFAOYSA-N
Canonical SMILES C1=CC(=CN=C1)C(=O)NCC(=O)O
CAS 583084
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Other Names 2-(Nicotinamido)acetic acid;
2-[(3-Pyridinylcarbonyl)amino]acetic acid;
2-(3-Pyridylcarbonylamino)acetic acid;
2-(Pyridin-3-Yl-formamido)acetic acid;
Nicotinuric acid;
Nicotinylglycine;
Nicotinoylglycine;
Nicotinurate;
N-Nicotinylglycine;
N-(Pyridin-3-ylcarbonyl)glycine;
N-Nicotinoylglycine;
Glycine, N-nicotinoyl-;
Glycine, N-(3-pyridinylcarbonyl)-;
N-Nicotinurate;
N-Nicotinuric acid;
N-(3-Pyridinylcarbonyl)-glycine

In Other Databases

HMDb HMDB03269
KEGG C05380
ChemSpider 61774
ChemIDPlus 000583084
PubChem 68499
ChEBI CHEBI:7563
ChEMBL CHEMBL458725