CHEBI:58765 - N-acetyl-L-citrullinate

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ChEBI Name N-acetyl-L-citrullinate
ChEBI ID CHEBI:58765
ChEBI ASCII Name N-acetyl-L-citrullinate
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:133540
Supplier Information
Download Molfile XML SDF
Formula C8H14N3O4
Net Charge -1
Average Mass 216.21450
Monoisotopic Mass 216.09898
InChI InChI=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
InChIKey WMQMIOYQXNRROC-LURJTMIESA-M
SMILES CC(=O)N[C@@H](CCCNC(N)=O)C([O-])=O
ChEBI Ontology
Outgoing 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 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
Synonym Source
N2-acetyl-L-citrulline UniProt
Last Modified
11 October 2016