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CHEBI:184100 - Pyroglu-tyr-arg

ChEBI IDCHEBI:184100
ChEBI NamePyroglu-tyr-arg
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28N6O6
Net Charge0
Average Mass448.480
Monoisotopic Mass448.20703
SMILESNC(N)=NCCCC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCC(=O)N1)C(=O)O
InChIInChI=1S/C20H28N6O6/c21-20(22)23-9-1-2-14(19(31)32)25-18(30)15(10-11-3-5-12(27)6-4-11)26-17(29)13-7-8-16(28)24-13/h3-6,13-15,27H,1-2,7-10H2,(H,24,28)(H,25,30)(H,26,29)(H,31,32)(H4,21,22,23)
InChIKeyPBAJTYIXHQQLKW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pyroglu-tyr-arg (CHEBI:184100) is a oligopeptide (CHEBI:25676)
IUPAC Name 
5-(diaminomethylideneamino)-2-[[3-(4-hydroxyphenyl)-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoyl]amino]pentanoic acid