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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	alpha-Hydroxy-1-methyl-1H-indole-3-propanoic acid

ChEBI ID	CHEBI:166550

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H13NO3

Net Charge

Average Mass

219.240

Monoisotopic Mass

219.08954

InChI

InChI=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)

InChIKey

ICSFHZYTTBEENT-UHFFFAOYSA-N

SMILES

OC(CC=1C=2C(N(C1)C)=CC=CC2)C(O)=O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	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