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CHEBI:15940 - nicotinic acid

ChEBI IDCHEBI:15940
ChEBI Namenicotinic acid
Stars
DefinitionA pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group.
Secondary ChEBI IDsCHEBI:7559, CHEBI:25538, CHEBI:44319
Last Modified22 July 2021
DownloadsMolfile

FormulaC6H5NO2
Net Charge0
Average Mass123.111
Monoisotopic Mass123.03203
SMILESO=C(O)c1cccnc1
InChIInChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
InChIKeyPVNIIMVLHYAWGP-UHFFFAOYSA-N

Wikipedia
Species of MetaboliteComponentSourceComments
Cordyceps sinensis (ncbitaxon:72228) mycelium (BTO:0001436) PubMed (21848266) Ethanolic extract of dried mycelia
Homo sapiens (ncbitaxon:9606)
cerebrospinal fluid (UBERON:0001359) Article (Geigy Scientific Tables, 8th Rev edition, pp. 165-177. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992.)
saliva (UBERON:0001836) Article (Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles. )
faeces (UBERON:0001988) PubMed (24029555)
blood (UBERON:0000178) Article (Geigy Scientific Tables, 8th Rev edition, pp. 165-177. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992.)
urine (BTO:0001419) Article (Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.)
- MetaboLights (MTBLS368) From MetaboLights
- MetaboLights (MTBLS20) From MetaboLights
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Bacillus subtilis (ncbitaxon:1423) - PubMed (34066686) Strain: 29784
Roles Classification

ChEBI Ontology
IUPAC Names 
nicotinic acid
pyridine-3-carboxylic acid
INNs  Source
nicotinic acidWHO MedNet
acidum nicotinicum  laWHO MedNet
acide nicotinique  frWHO MedNet
ácido nicotínico  esWHO MedNet
Synonyms  Source
Nicotinic acidKEGG COMPOUND
NiacinKEGG COMPOUND
3-pyridinecarboxylic acidKEGG COMPOUND
Nicotinsaure  deChemIDplus
NICOTINIC ACIDPDBeChem
pyridine-β-carboxylic acidNIST Chemistry WebBook
Brand Names  Source
NiacorKEGG DRUG
NiaspanKEGG DRUG
Manual XrefsDatabases
C00253KEGG COMPOUND
NIOPDBeChem
DB00627DrugBank
NiacinWikipedia
D00049KEGG DRUG
HMDB0001488HMDB
NIACINEMetaCyc
C00000208KNApSAcK
913ChemSpider
LSM-4676LINCS
2835DrugCentral
FDB001014FooDB
Registry NumbersSources
Gmelin:3340Gmelin
Reaxys:109591Reaxys
CAS:59-67-6KEGG COMPOUND
CAS:59-67-6ChemIDplus
CAS:59-67-6NIST Chemistry WebBook
Citations