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CHEBI:159985 - Asn-Met-Ser

Default Structure
ChEBI IDCHEBI:159985
ChEBI NameAsn-Met-Ser
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H22N4O6S
Net Charge0
Average Mass350.397
Monoisotopic Mass350.12601
SMILESCSCC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C12H22N4O6S/c1-23-3-2-7(11(20)16-8(5-17)12(21)22)15-10(19)6(13)4-9(14)18/h6-8,17H,2-5,13H2,1H3,(H2,14,18)(H,15,19)(H,16,20)(H,21,22)/t6-,7-,8-/m0/s1
InChIKeyKEUNWIXNKVWCFL-FXQIFTODSA-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-Ser (CHEBI:159985) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-methylsulanylbutanoyl]amino]-3-hydroxypropanoic acid