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CHEBI:166550 - alpha-Hydroxy-1-methyl-1H-indole-3-propanoic acid

ChEBI IDCHEBI:166550
ChEBI Namealpha-Hydroxy-1-methyl-1H-indole-3-propanoic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H13NO3
Net Charge0
Average Mass219.240
Monoisotopic Mass219.08954
SMILESCn1cc(CC(O)C(=O)O)c2ccccc21
InChIInChI=1S/C12H13NO3/c1-13-7-8(6-11(14)12(15)16)9-4-2-3-5-10(9)13/h2-5,7,11,14H,6H2,1H3,(H,15,16)
InChIKeyICSFHZYTTBEENT-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
alpha-Hydroxy-1-methyl-1H-indole-3-propanoic acid (CHEBI:166550) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name 
2-hydroxy-3-(1-methylindol-3-yl)propanoic acid
Manual XrefsDatabases
HMDB0038338HMDB
35014549ChemSpider