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CHEBI:168943 - Cysteinyl-Asparagine

ChEBI IDCHEBI:168943
ChEBI NameCysteinyl-Asparagine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H13N3O4S
Net Charge0
Average Mass235.265
Monoisotopic Mass235.06268
SMILESNC(=O)CC(NC(=O)C(N)CS)C(=O)O
InChIInChI=1S/C7H13N3O4S/c8-3(2-15)6(12)10-4(7(13)14)1-5(9)11/h3-4,15H,1-2,8H2,(H2,9,11)(H,10,12)(H,13,14)
InChIKeyAYKQJQVWUYEZNU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cysteinyl-Asparagine (CHEBI:168943) is a dipeptide (CHEBI:46761)
IUPAC Name 
4-amino-2-[(2-amino-3-sulanylpropanoyl)amino]-4-oxobutanoic acid
Manual XrefsDatabases
HMDB0028770HMDB
16568279ChemSpider