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CHEBI:49002 - N-acetyl-L-citrulline

Default Structure
ChEBI IDCHEBI:49002
ChEBI NameN-acetyl-L-citrulline
Stars
ASCII NameN-acetyl-L-citrulline
DefinitionThe L-enantiomer of N-acetylcitrulline.
Secondary ChEBI IDsCHEBI:44544, CHEBI:49001
Last Modified3 October 2016
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC8H15N3O4
Net Charge0
Average Mass217.225
Monoisotopic Mass217.10626
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)/t6-/m0/s1
InChIKeyWMQMIOYQXNRROC-LURJTMIESA-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-acetyl-L-citrulline (CHEBI:49002) has functional parent L-citrulline (CHEBI:16349)
N-acetyl-L-citrulline (CHEBI:49002) is a N-acetyl-L-amino acid (CHEBI:21545)
N-acetyl-L-citrulline (CHEBI:49002) is a N-acetylcitrulline (CHEBI:49006)
N-acetyl-L-citrulline (CHEBI:49002) is conjugate acid of N-acetyl-L-citrullinate (CHEBI:58765)
Incoming Relation(s)
N-acetyl-L-citrullinate (CHEBI:58765) is conjugate base of N-acetyl-L-citrulline (CHEBI:49002)
IUPAC Names 
(2S)-2-acetamido-5-(carbamoylamino)pentanoic acid
N2-acetyl-N5-carbamoyl-L-ornithine
Synonyms  Source
(2S)-2-(acetylamino)-5-[(aminocarbonyl)amino]pentanoic acidChEBI
(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACIDPDBeChem
Manual XrefsDatabases
C15532KEGG COMPOUND
DB02368DrugBank
OLNPDBeChem