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CHEBI:168921 - Asparaginyl-Serine

ChEBI IDCHEBI:168921
ChEBI NameAsparaginyl-Serine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H13N3O5
Net Charge0
Average Mass219.197
Monoisotopic Mass219.08552
SMILESNC(=O)CC(N)C(=O)NC(CO)C(=O)O
InChIInChI=1S/C7H13N3O5/c8-3(1-5(9)12)6(13)10-4(2-11)7(14)15/h3-4,11H,1-2,8H2,(H2,9,12)(H,10,13)(H,14,15)
InChIKeySONUFGRSSMFHFN-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)
Asparaginyl-Serine (CHEBI:168921) is a dipeptide (CHEBI:46761)
IUPAC Name 
2-[(2,4-diamino-4-oxobutanoyl)amino]-3-hydroxypropanoic acid
Manual XrefsDatabases
HMDB0028740HMDB
16568266ChemSpider