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CHEBI:159966 - Asn-Met-Gln

ChEBI IDCHEBI:159966
ChEBI NameAsn-Met-Gln
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H25N5O6S
Net Charge0
Average Mass391.450
Monoisotopic Mass391.15255
SMILESCSCC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C14H25N5O6S/c1-26-5-4-8(18-12(22)7(15)6-11(17)21)13(23)19-9(14(24)25)2-3-10(16)20/h7-9H,2-6,15H2,1H3,(H2,16,20)(H2,17,21)(H,18,22)(H,19,23)(H,24,25)/t7-,8-,9-/m0/s1
InChIKeyUYRPHDGXHKBZHJ-CIUDSAMLSA-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)
Asn-Met-Gln (CHEBI:159966) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-methylsulanylbutanoyl]amino]-5-oxopentanoic acid