CHEBI:160794 - Asp-Phe-Asp

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ChEBI Name Asp-Phe-Asp
ChEBI ID CHEBI:160794
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C17H21N3O8
Net Charge 0
Average Mass 395.368
Monoisotopic Mass 395.13286
InChI InChI=1S/C17H21N3O8/c18-10(7-13(21)22)15(25)19-11(6-9-4-2-1-3-5-9)16(26)20-12(17(27)28)8-14(23)24/h1-5,10-12H,6-8,18H2,(H,19,25)(H,20,26)(H,21,22)(H,23,24)(H,27,28)/t10-,11-,12-/m0/s1
InChIKey WOPJVEMFXYHZEE-SRVKXCTJSA-N
SMILES O=C(N[C@@H](CC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)CC1=CC=CC=C1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Asp-Phe-Asp (CHEBI:160794) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]butanedioic acid