2-{[hydroxy(1H-indol-3-yl)methylidene]amino}acetic acid (CHEBI:168945)

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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	2-{[hydroxy(1H-indol-3-yl)methylidene]amino}acetic acid

ChEBI ID	CHEBI:168945

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H10N2O3

Net Charge

Average Mass

218.212

Monoisotopic Mass

218.06914

InChI

InChI=1S/C11H10N2O3/c14-10(15)6-13-11(16)8-5-12-9-4-2-1-3-7(8)9/h1-5,12H,6H2,(H,13,16)(H,14,15)

InChIKey

QBGTUKHXPABEHI-UHFFFAOYSA-N

SMILES

O=C(NCC(O)=O)C=1C=2C(NC1)=CC=CC2

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

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	2-{[hydroxy(1H-indol-3-yl)methylidene]amino}acetic acid (CHEBI:168945) is a N-acyl-amino acid (CHEBI:51569)

IUPAC Name

2-(1H-indole-3-carbonylamino)acetic acid