CHEBI:161458 - Phe-Gln-Met

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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-Gln-Met
ChEBI ID CHEBI:161458
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H28N4O5S
Net Charge 0
Average Mass 424.520
Monoisotopic Mass 424.17804
InChI InChI=1S/C19H28N4O5S/c1-29-10-9-15(19(27)28)23-18(26)14(7-8-16(21)24)22-17(25)13(20)11-12-5-3-2-4-6-12/h2-6,13-15H,7-11,20H2,1H3,(H2,21,24)(H,22,25)(H,23,26)(H,27,28)/t13-,14-,15-/m0/s1
InChIKey YEEFZOKPYOUXMX-KKUMJFAQSA-N
SMILES S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CCC(=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-Gln-Met (CHEBI:161458) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-4-methylsulanylbutanoic acid