4-hydroxy-4-(indol-3-ylmethyl)glutamic acid (CHEBI:177436)

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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	4-hydroxy-4-(indol-3-ylmethyl)glutamic acid

ChEBI ID	CHEBI:177436

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H16N2O5

Net Charge

Average Mass

292.291

Monoisotopic Mass

292.10592

InChI

InChI=1S/C14H16N2O5/c15-10(12(17)18)6-14(21,13(19)20)5-8-7-16-11-4-2-1-3-9(8)11/h1-4,7,10,16,21H,5-6,15H2,(H,17,18)(H,19,20)/t10-,14?/m0/s1

InChIKey

RMLYXMMBIZLGAQ-XLLULAGJSA-N

SMILES

OC(CC=1C=2C(NC1)=CC=CC2)(C[C@H](N)C(O)=O)C(O)=O

Metabolite of Species	Details
Sus scrofa (NCBI:txid9823)	Found in sausage (ENVO:00002166). See: MetaboLights Study

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

ChEBI Ontology
Outgoing	4-hydroxy-4-(indol-3-ylmethyl)glutamic acid (CHEBI:177436) is a α-amino acid (CHEBI:33704)

IUPAC Name

(4S)-4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic acid