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CHEBI:159602 - Asn-Asp-Cys

ChEBI IDCHEBI:159602
ChEBI NameAsn-Asp-Cys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H18N4O7S
Net Charge0
Average Mass350.353
Monoisotopic Mass350.08962
SMILESNC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)O
InChIInChI=1S/C11H18N4O7S/c12-4(1-7(13)16)9(19)14-5(2-8(17)18)10(20)15-6(3-23)11(21)22/h4-6,23H,1-3,12H2,(H2,13,16)(H,14,19)(H,15,20)(H,17,18)(H,21,22)/t4-,5-,6-/m0/s1
InChIKeyGMCOADLDNLGOFE-ZLUOBGJFSA-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-Asp-Cys (CHEBI:159602) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-4-[[(1R)-1-carboxy-2-sulanylethyl]amino]-3-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-oxobutanoic acid