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CHEBI:169990 - Indole-2-carboxylic acid

ChEBI IDCHEBI:169990
ChEBI NameIndole-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H7NO2
Net Charge0
Average Mass161.160
Monoisotopic Mass161.04768
SMILESO=C(O)c1cc2ccccc2n1
InChIInChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
InChIKeyHCUARRIEZVDMPT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus Musculus (ncbitaxon:10090)
liver (BTO:0000759) MetaboLights (MTBLS1903) Strain: C57BL/6N Mouse [THESAURUS.OWL#C37385]
blood plasma (BTO:0000131) MetaboLights (MTBLS1903) Strain: C57BL/6N Mouse [THESAURUS.OWL#C37385]
unidentified (ncbitaxon:32644) Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Staphylococcus aureus (ncbitaxon:1280)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105) Strain: Staphylococcus aureus subsp. aureus USA300 [NCBI:txid367830]
Pseudomonas aeruginosa/Staphylococcus aureus (ncbitaxon:1280) Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Pseudomonas aeruginosa (ncbitaxon:287)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105) Strain: Pseudomonas aeruginosa UCBPP-PA14 [NCBI:txid208963]
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Indole-2-carboxylic acid (CHEBI:169990) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name 
1H-indole-2-carboxylic acid
Manual XrefsDatabases
HMDB0002285HMDB
ICBPDBeChem
65731ChemSpider
Registry NumbersSources
CAS:1477-50-5ChemIDplus