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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name aspartic acid-1,4-13C2
ChEBI ID CHEBI:176633
ChEBI ASCII Name aspartic acid-1,4-(13)C2
Definition A 13C-modified compound that is apspartic acid in which the carbon atoms at postions 1 and 4 are present as their 13C isotopes.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C2[13C]2H7NO4
Net Charge 0
Average Mass 135.088
Monoisotopic Mass 135.04422
InChI InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/i3+1,4+1
InChIKey CKLJMWTZIZZHCS-CQDYUVAPSA-N
SMILES NC(C[13C](O)=O)[13C](O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): fundamental metabolite
Any metabolite produced by all living cells.
(via aspartic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 acid IUPAC
Last Modified
28 June 2021