3-formyl-L-tyrosinyl-L-threonine (CHEBI:202422)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	3-formyl-L-tyrosinyl-L-threonine

ChEBI ID	CHEBI:202422

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H18N2O6

Net Charge

Average Mass

310.306

Monoisotopic Mass

310.11649

InChI

InChI=1S/C14H18N2O6/c1-7(18)12(14(21)22)16-13(20)10(15)5-8-2-3-11(19)9(4-8)6-17/h2-4,6-7,10,12,18-19H,5,15H2,1H3,(H,16,20)(H,21,22)/t7-,10+,12+/m1/s1

InChIKey

CLSAEXZTTQJZHA-VHRDEZTHSA-N

SMILES

O=C(O)[C@@H](NC(=O)[C@@H](N)CC1=CC(=C(O)C=C1)C=O)[C@H](O)C

Metabolite of Species	Details
Pseudoalteromonas tunicata (NCBI:txid314281)	See: PubMed

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

ChEBI Ontology
Outgoing	3-formyl-L-tyrosinyl-L-threonine (CHEBI:202422) is a dipeptide (CHEBI:46761)

IUPAC Name

(2S,3R)-2-[[(2S)-2-amino-3-(3-ormyl-4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoic acid