CHEBI:164130 - Thr-Phe-Arg

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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 Thr-Phe-Arg
ChEBI ID CHEBI:164130
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H30N6O5
Net Charge 0
Average Mass 422.486
Monoisotopic Mass 422.22777
InChI InChI=1S/C19H30N6O5/c1-11(26)15(20)17(28)25-14(10-12-6-3-2-4-7-12)16(27)24-13(18(29)30)8-5-9-23-19(21)22/h2-4,6-7,11,13-15,26H,5,8-10,20H2,1H3,(H,24,27)(H,25,28)(H,29,30)(H4,21,22,23)/t11-,13+,14+,15+/m1/s1
InChIKey WRQLCVIALDUQEQ-UNQGMJICSA-N
SMILES O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)[C@H](O)C)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 Thr-Phe-Arg (CHEBI:164130) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Manual Xref Database
16574820 ChemSpider
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