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CHEBI:161722 - Phe-Met-Gln

ChEBI IDCHEBI:161722
ChEBI NamePhe-Met-Gln
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28N4O5S
Net Charge0
Average Mass424.523
Monoisotopic Mass424.17804
SMILESCSCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C19H28N4O5S/c1-29-10-9-14(18(26)23-15(19(27)28)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
InChIKeyPTLMYJOMJLTMCB-KKUMJFAQSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Phe-Met-Gln (CHEBI:161722) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylsulanylbutanoyl]amino]-5-oxopentanoic acid