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CHEBI:136817 - β-Asp-Glu

ChEBI IDCHEBI:136817
ChEBI Nameβ-Asp-Glu
Stars
ASCII Namebeta-Asp-Glu
DefinitionA dipeptide consisting of an L-aspartyl residue attached to L-glutamic acid via the β-carboxy group.
Last Modified16 April 2018
SubmitterKeeva
DownloadsMolfile
FormulaC9H14N2O7
Net Charge0
Average Mass262.218
Monoisotopic Mass262.08010
SMILESN[C@@H](CC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C9H14N2O7/c10-4(8(15)16)3-6(12)11-5(9(17)18)1-2-7(13)14/h4-5H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)/t4-,5-/m0/s1
InChIKeyDBMVITQDGVMXEY-WHFBIAKZSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood serum (BTO:0000133) MetaboLights (MTBLS97)
blood serum (BTO:0000133) PubMed (25598764)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
human blood serum metabolite  Any metabolite (endogenous or exogenous) found in human blood serum samples.
ChEBI Ontology
Outgoing Relation(s)
β-Asp-Glu (CHEBI:136817) has role human blood serum metabolite (CHEBI:85234)
β-Asp-Glu (CHEBI:136817) is a dipeptide (CHEBI:46761)
IUPAC Name 
L-β-aspartyl-L-glutamic acid
Synonyms  Source
(2S)-2-{[(3S)-3-amino-3-carboxypropanoyl]amino}pentanedioic acidIUPAC
L-β-Asp-L-GluChEBI
Manual XrefsDatabases
HMDB0011164HMDB
Registry NumbersSources
Reaxys:1716092Reaxys