| Number |
qtl-m1075 |
| Declustering Potential(DP) |
|
| Collision Energy(CE) |
|
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
124 |
| Product ions(Q3) |
80.1 |
| Main fragments |
|
| Compound |
Nicotinic acid |
| Identification |
standard |
| class |
Vitamin |
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:15940 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
109591;; |
| BioModels Database Links |
|
| CAS Registry Numbers |
59-67-6;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
nicotinic acid;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group.;; |
| DrugBank Database Links |
DB00627;; |
| Formulae |
C6H5NO2;; |
| Gmelin Registry Numbers |
3340;; |
| INN |
nicotinic acid;;acidum nicotinicum;;acido nicotinico;;acide nicotinique;; |
| IUPAC Names |
pyridine-3-carboxylic acid;;nicotinic acid;; |
| InChI |
InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9);; |
| InChIKey |
PVNIIMVLHYAWGP-UHFFFAOYSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
D00049 |
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
25 Feb 2016;; |
| Mass |
123.10944;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
WO2008134354;;WO2008130320;;WO2008127349;;WO2008122787;;WO2007136573;;WO2007132479;;WO2007130075;;WO2007128480;;WO2007121312;;WO2007103149;;WO2007092270;;WO2007089745;;WO2007089667;;WO2007089557;;WO2007087448;;WO2006124713;;WO2006124490;;WO2006122186;;WO2 |
| PubChem Database Links |
8143743;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
9107536;;8679452;;8423912;;7581845;;699281;;582105;;4259917;;4033386;;25429652;;25241762;;25040591;;24975217;;24848081;;24675661;;24568240;;24029555;;22770225;;22458880;;22366213;;22229411;;22155410;;22116693;;21848266;;21632263;;20979384;;19779335;;19678 |
| RESID Database Links |
|
| Reactome Database Links |
R-HSA-749456;;R-HSA-749454;;R-HSA-444661;;R-HSA-380073;;R-HSA-3296309;;R-HSA-197201;;R-HSA-197186;; |
| Rhea Database Links |
|
| SABIO-RK Database Links |
8093;;8003;;7319;;6891;;401;;10861;; |
| SMILES |
OC(=O)c1cccnc1;; |
| Secondary ChEBI ID |
CHEBI:25538;;CHEBI:7559;;CHEBI:44319;; |
| Star |
3;; |
| Synonyms |
vitamin B3;;pyridine-beta-carboxylic acid;;pyridine-3-carboxylic acid;;pellagra preventive factor;;m-pyridinecarboxylic acid;;beta-pyridinecarboxylic acid;;anti-pellagra vitamin;;Wampocap;;Tinic;;Slo-niacin;;Peviton;;Pelonin;;Pellagrin;;PP factor;;P.P. fa |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9ZU32;;Q9ZJP8;;Q9ZJN2;;Q9X7F4;;Q9X1T8;;Q9WYW0;;Q9WXV2;;Q9WTN5;;Q9VQX4;;Q9UV64;;Q9UTK3;;Q9USS0;;Q9ULQ1;;Q9SLD2;;Q9S2R1;;Q9RYR8;;Q9RDK7;;Q9PQ21;;Q9PMQ3;;Q9PED1;;Q9PBG5;;Q9NWW6;;Q9NPI5;;Q9KSL9;;Q9KN67;;Q9KG31;;Q9KD91;;Q9JYM9;;Q9JTM8;;Q9I465;;Q9HX21;;Q9HW26; |
| ChEBI Image |
 |
| |
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