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CHEBI:176633 - aspartic acid-1,4-13C2

ChEBI IDCHEBI:176633
ChEBI Nameaspartic acid-1,4-13C2
Stars
ASCII Nameaspartic acid-1,4-(13)C2
DefinitionA 13C-modified compound that is apspartic acid in which the carbon atoms at postions 1 and 4 are present as their 13C isotopes.
Last Modified28 June 2021
SubmitterAdnan
DownloadsMolfile
FormulaC2[13C2]H7NO4
Net Charge0
Average Mass135.088
Monoisotopic Mass135.04422
SMILESNC(C[13C](=O)O)[13C](=O)O
InChIInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/i3+1,4+1
InChIKeyCKLJMWTZIZZHCS-CQDYUVAPSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
fundamental metabolite  Any metabolite produced by all living cells.
ChEBI Ontology
Outgoing Relation(s)
aspartic acid-1,4-13C2 (CHEBI:176633) is a 13C-modified compound (CHEBI:139357)
aspartic acid-1,4-13C2 (CHEBI:176633) is a aspartic acid (CHEBI:22660)
Incoming Relation(s)
D-aspartic acid-1,4-13C2 (CHEBI:176632) is a aspartic acid-1,4-13C2 (CHEBI:176633)
L-aspartic acid-1,4-13C2 (CHEBI:176631) is a aspartic acid-1,4-13C2 (CHEBI:176633)
IUPAC Name 
(1,4-13C2)aspartic acid
Synonym  Source
2-amino(1,4-13C2)butanedioic acidIUPAC