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CHEBI:22653 - asparagine

ChEBI IDCHEBI:22653
ChEBI Nameasparagine
Stars
DefinitionAn α-amino acid in which one of the hydrogens attached to the α-carbon of glycine is substituted by a 2-amino-2-oxoethyl group.
Last Modified29 July 2019
DownloadsMolfile
FormulaC4H8N2O3
Net Charge0
Average Mass132.119
Monoisotopic Mass132.05349
SMILESNC(=O)CC(N)C(=O)O
InChIInChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)
InChIKeyDCXYFEDJOCDNAF-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Chlamydomonas reinhardtii (ncbitaxon:3055) - PubMed (25515814)
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 Roles:
algal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae.
Daphnia magna metabolite  A Daphnia metabolite produced by the species Daphnia magna.
ChEBI Ontology
Outgoing Relation(s)
asparagine (CHEBI:22653) has part 2-amino-2-oxoethyl group (CHEBI:50330)
asparagine (CHEBI:22653) has role Daphnia magna metabolite (CHEBI:83056)
asparagine (CHEBI:22653) has role algal metabolite (CHEBI:84735)
asparagine (CHEBI:22653) is a dicarboxylic acid monoamide (CHEBI:35735)
asparagine (CHEBI:22653) is a polar amino acid (CHEBI:26167)
asparagine (CHEBI:22653) is a α-amino acid (CHEBI:33704)
asparagine (CHEBI:22653) is conjugate acid of asparaginate (CHEBI:32660)
asparagine (CHEBI:22653) is conjugate base of asparaginium (CHEBI:32661)
Incoming Relation(s)
N-ethylasparagine (CHEBI:64308) has functional parent asparagine (CHEBI:22653)
asparagine derivative (CHEBI:22654) has functional parent asparagine (CHEBI:22653)
D-asparagine (CHEBI:28159) is a asparagine (CHEBI:22653)
L-asparagine (CHEBI:17196) is a asparagine (CHEBI:22653)
asparaginium (CHEBI:32661) is conjugate acid of asparagine (CHEBI:22653)
asparaginate (CHEBI:32660) is conjugate base of asparagine (CHEBI:22653)
N2-asparagino group (CHEBI:32662) is substituent group from asparagine (CHEBI:22653)
N4-asparagino group (CHEBI:22655) is substituent group from asparagine (CHEBI:22653)
asparagine residue (CHEBI:32664) is substituent group from asparagine (CHEBI:22653)
asparaginyl group (CHEBI:22656) is substituent group from asparagine (CHEBI:22653)
IUPAC Name 
asparagine
Synonyms  Source
2,4-diamino-4-oxobutanoic acidIUPAC
2-amino-3-carbamoylpropanoic acidJCBN
AsnChEBI
ASNChEBI
AsparaginChEBI
asparaginaChEBI
Manual XrefsDatabases
AsparagineWikipedia
C16438KEGG COMPOUND
Registry NumbersSources
Reaxys:1723525Reaxys
Gmelin:279043Gmelin
CAS:3130-87-8ChemIDplus
Citations