CHEBI:161871 - Phe-Thr-Asn

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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 Phe-Thr-Asn
ChEBI ID CHEBI:161871
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H24N4O6
Net Charge 0
Average Mass 380.401
Monoisotopic Mass 380.16958
InChI InChI=1S/C17H24N4O6/c1-9(22)14(16(25)20-12(17(26)27)8-13(19)23)21-15(24)11(18)7-10-5-3-2-4-6-10/h2-6,9,11-12,14,22H,7-8,18H2,1H3,(H2,19,23)(H,20,25)(H,21,24)(H,26,27)/t9-,11+,12+,14+/m1/s1
InChIKey JHSRGEODDALISP-XVSYOHENSA-N
SMILES O[C@@H]([C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CC(=O)N)C(O)=O)C
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 Phe-Thr-Asn (CHEBI:161871) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoic acid