CHEBI:161869 - Phe-Thr-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 Phe-Thr-Arg
ChEBI ID CHEBI:161869
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(25-16(27)13(20)10-12-6-3-2-4-7-12)17(28)24-14(18(29)30)8-5-9-23-19(21)22/h2-4,6-7,11,13-15,26H,5,8-10,20H2,1H3,(H,24,28)(H,25,27)(H,29,30)(H4,21,22,23)/t11-,13+,14+,15+/m1/s1
InChIKey LTAWNJXSRUCFAN-UNQGMJICSA-N
SMILES O[C@@H]([C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CCCN=C(N)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 )
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ChEBI Ontology
Outgoing Phe-Thr-Arg (CHEBI:161869) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Manual Xref Database
16573710 ChemSpider
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