EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:161716 - Phe-Met-Asn

ChEBI IDCHEBI:161716
ChEBI NamePhe-Met-Asn
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H26N4O5S
Net Charge0
Average Mass410.496
Monoisotopic Mass410.16239
SMILESCSCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C18H26N4O5S/c1-28-8-7-13(17(25)22-14(18(26)27)10-15(20)23)21-16(24)12(19)9-11-5-3-2-4-6-11/h2-6,12-14H,7-10,19H2,1H3,(H2,20,23)(H,21,24)(H,22,25)(H,26,27)/t12-,13-,14-/m0/s1
InChIKeyYOFKMVUAZGPFCF-IHRRRGAJSA-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-Asn (CHEBI:161716) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylsulanylbutanoyl]amino]-4-oxobutanoic acid