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CHEBI:58765 - N-acetyl-L-citrullinate

ChEBI IDCHEBI:58765
ChEBI NameN-acetyl-L-citrullinate
Stars
ASCII NameN-acetyl-L-citrullinate
DefinitionAn N-acyl-L-α-amino acid anion that is the conjugate base of N-acetyl-L-citrulline, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Secondary ChEBI IDCHEBI:133540
Last Modified11 October 2016
Submitterjjtluanloet
DownloadsMolfile
FormulaC8H14N3O4
Net Charge-1
Average Mass216.217
Monoisotopic Mass216.09898
SMILESCC(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-]
InChIInChI=1S/C8H15N3O4/c1-5(12)11-6(7(13)14)3-2-4-10-8(9)15/h6H,2-4H2,1H3,(H,11,12)(H,13,14)(H3,9,10,15)/p-1/t6-/m0/s1
InChIKeyWMQMIOYQXNRROC-LURJTMIESA-M
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-L-citrullinate (CHEBI:58765) is a N-acyl-L-α-amino acid anion (CHEBI:59874)
N-acetyl-L-citrullinate (CHEBI:58765) is conjugate base of N-acetyl-L-citrulline (CHEBI:49002)
Incoming Relation(s)
N-acetyl-L-citrulline (CHEBI:49002) is conjugate acid of N-acetyl-L-citrullinate (CHEBI:58765)
IUPAC Names 
(2S)-2-acetamido-5-(carbamoylamino)pentanoate
N2-acetyl-N5-carbamoyl-L-ornithinate
UniProt Name  Source
N2-acetyl-L-citrullineUniProt