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CHEBI:172379 - N-(4-Hydroxypentyl)-3-carboxyindole

ChEBI IDCHEBI:172379
ChEBI NameN-(4-Hydroxypentyl)-3-carboxyindole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H17NO3
Net Charge0
Average Mass247.294
Monoisotopic Mass247.12084
SMILESCC(O)CCCn1cc(C(=O)O)c2ccccc21
InChIInChI=1S/C14H17NO3/c1-10(16)5-4-8-15-9-12(14(17)18)11-6-2-3-7-13(11)15/h2-3,6-7,9-10,16H,4-5,8H2,1H3,(H,17,18)
InChIKeyJKTRSAHBYMWKAA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
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)
unidentified (ncbitaxon:32644) Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Staphylococcus aureus (ncbitaxon:1280)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105) Strain: Staphylococcus aureus subsp. aureus USA300 [NCBI:txid367830]
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Pseudomonas aeruginosa;Staphylococcus aureus (ncbitaxon:1280) 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)
N-(4-Hydroxypentyl)-3-carboxyindole (CHEBI:172379) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name 
1-(4-hydroxypentyl)indole-3-carboxylic acid
Manual XrefsDatabases
29341627ChemSpider