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CHEBI:22660 - aspartic acid

ChEBI IDCHEBI:22660
ChEBI Nameaspartic acid
Stars
DefinitionAn α-amino acid that consists of succinic acid bearing a single α-amino substituent
Last Modified28 June 2021
DownloadsMolfile
FormulaC4H7NO4
Net Charge0
Average Mass133.103
Monoisotopic Mass133.03751
SMILESNC(CC(=O)O)C(=O)O
InChIInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)
InChIKeyCKLJMWTZIZZHCS-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Daphnia magna (ncbitaxon:35525) - Article (Mixtures of similarly acting compounds in Daphnia magna: From gene to metabolite and beyondTine Vandenbrouck, Oliver A.H. Jones, Nathalie Dom, Julian L. Griffin, Wim De CoenEnvironment International 36 (2010) 254-268)
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).
Biological Role:
fundamental metabolite  Any metabolite produced by all living cells.
ChEBI Ontology
Outgoing Relation(s)
aspartic acid (CHEBI:22660) has part carboxymethyl group (CHEBI:41402)
aspartic acid (CHEBI:22660) has role fundamental metabolite (CHEBI:78675)
aspartic acid (CHEBI:22660) is a C4-dicarboxylic acid (CHEBI:66873)
aspartic acid (CHEBI:22660) is a polar amino acid (CHEBI:26167)
aspartic acid (CHEBI:22660) is a α-amino acid (CHEBI:33704)
aspartic acid (CHEBI:22660) is conjugate acid of aspartate (CHEBI:132943)
aspartic acid (CHEBI:22660) is conjugate acid of aspartate(1−) (CHEBI:35391)
Incoming Relation(s)
α-Asp-Leu (CHEBI:68596) has functional parent aspartic acid (CHEBI:22660)
β-Asp-Ile (CHEBI:68601) has functional parent aspartic acid (CHEBI:22660)
β-Asp-Leu (CHEBI:68600) has functional parent aspartic acid (CHEBI:22660)
D-aspartic acid (CHEBI:17364) is a aspartic acid (CHEBI:22660)
L-aspartic acid (CHEBI:17053) is a aspartic acid (CHEBI:22660)
aspartic acid-1,4-13C2 (CHEBI:176633) is a aspartic acid (CHEBI:22660)
aspartate (CHEBI:132943) is conjugate base of aspartic acid (CHEBI:22660)
aspartate(1−) (CHEBI:35391) is conjugate base of aspartic acid (CHEBI:22660)
aspartic acid residue (CHEBI:32470) is substituent group from aspartic acid (CHEBI:22660)
asparto group (CHEBI:22662) is substituent group from aspartic acid (CHEBI:22660)
aspartoyl group (CHEBI:22663) is substituent group from aspartic acid (CHEBI:22660)
α-aspartyl group (CHEBI:22445) is substituent group from aspartic acid (CHEBI:22660)
β-aspartyl group (CHEBI:22832) is substituent group from aspartic acid (CHEBI:22660)
IUPAC Name 
aspartic acid
Synonyms  Source
2-aminobutanedioic acidIUPAC
AspChEBI
(+-)-Aspartic acidChemIDplus
Aspartic acidKEGG COMPOUND
DChEBI
DL-Aminosuccinic acidChemIDplus
Manual XrefsDatabases
Aspartic_acidWikipedia
C16433KEGG COMPOUND
Registry NumbersSources
Gmelin:185140Gmelin
Reaxys:774618Reaxys
CAS:617-45-8ChemIDplus
CAS:617-45-8NIST Chemistry WebBook
CAS:617-45-8KEGG COMPOUND
Citations