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CHEBI:49006 - N-acetylcitrulline

ChEBI IDCHEBI:49006
ChEBI NameN-acetylcitrulline
Stars
ASCII NameN-acetylcitrulline
DefinitionAn N-acetyl-amino acid that is the Nα-acetyl derivative of citrulline.
Last Modified29 July 2011
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC8H15N3O4
Net Charge0
Average Mass217.225
Monoisotopic Mass217.10626
SMILESCC(=O)NC(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)
InChIKeyWMQMIOYQXNRROC-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
N-acetylcitrulline (CHEBI:49006) has functional parent citrulline (CHEBI:18211)
N-acetylcitrulline (CHEBI:49006) is a N-acetyl-amino acid (CHEBI:21575)
N-acetylcitrulline (CHEBI:49006) is a monocarboxylic acid (CHEBI:25384)
N-acetylcitrulline (CHEBI:49006) is a ureas (CHEBI:47857)
Incoming Relation(s)
N-acetyl-L-citrulline (CHEBI:49002) is a N-acetylcitrulline (CHEBI:49006)
IUPAC Names 
N2-acetyl-N5-carbamoylornithine
2-acetamido-5-(carbamoylamino)pentanoic acid
Synonym  Source
2-(acetylamino)-5-[(aminocarbonyl)amino]pentanoic acidChEBI
Registry NumbersSources
Reaxys:2215792Reaxys
Citations