EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:160441 - Asp-Cys-Asn

ChEBI IDCHEBI:160441
ChEBI NameAsp-Cys-Asn
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H18N4O7S
Net Charge0
Average Mass350.353
Monoisotopic Mass350.08962
SMILESNC(=O)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C11H18N4O7S/c12-4(1-8(17)18)9(19)15-6(3-23)10(20)14-5(11(21)22)2-7(13)16/h4-6,23H,1-3,12H2,(H2,13,16)(H,14,20)(H,15,19)(H,17,18)(H,21,22)/t4-,5-,6-/m0/s1
InChIKeyZRAOLTNMSCSCLN-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)
Asp-Cys-Asn (CHEBI:160441) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2R)-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-1-oxo-3-sulanylpropan-2-yl]amino]-4-oxobutanoic acid