N-Feruloylglycyl-L-phenylalanine (CHEBI:169505)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:169505 - N-Feruloylglycyl-L-phenylalanine

Take structure to advanced search

ChEBI ID	CHEBI:169505
ChEBI Name	N-Feruloylglycyl-L-phenylalanine
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H22N2O6
Net Charge	0
Average Mass	398.415
Monoisotopic Mass	398.14779
SMILES	COc1cc(/C=C/C(=O)NCC(=O)NC(Cc2ccccc2)C(=O)O)ccc1O
InChI	InChI=1S/C21H22N2O6/c1-29-18-12-15(7-9-17(18)24)8-10-19(25)22-13-20(26)23-16(21(27)28)11-14-5-3-2-4-6-14/h2-10,12,16,24H,11,13H2,1H3,(H,22,25)(H,23,26)(H,27,28)/b10-8+
InChIKey	RMZPPYWIJILVLC-CSKARUKUSA-N

Species of Metabolite	Component	Source	Comments
Malus domestica (ncbitaxon:3750)	exocarp (BTO:0000733)	MetaboLights (MTBLS2384)	Strain: Malus x domestica Borkh. cv. Ruixue

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	N-Feruloylglycyl-L-phenylalanine (CHEBI:169505) is a peptide (CHEBI:16670)

IUPAC Name
2-[[2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]acetyl]amino]-3-phenylpropanoic acid

Manual Xrefs	Databases
HMDB0029356	HMDB
35032858	ChemSpider