N-acetyl-L-citrulline (CHEBI:49002)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	N-acetyl-L-citrulline

ChEBI ID	CHEBI:49002

ChEBI ASCII Name	N-acetyl-L-citrulline

Definition	The L-enantiomer of N-acetylcitrulline.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:44544, CHEBI:49001

Supplier Information

Download	Molfile XML SDF

more structures >>

Formula

C8H15N3O4

Net Charge

Average Mass

217.22252

Monoisotopic Mass

217.10626

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)/t6-/m0/s1

InChIKey

WMQMIOYQXNRROC-LURJTMIESA-N

SMILES

CC(=O)N[C@@H](CCCNC(N)=O)C(O)=O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	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	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	Sources
(2S)-2-(acetylamino)-5-[(aminocarbonyl)amino]pentanoic acid	ChEBI
(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACID	PDBeChem

Last Modified

03 October 2016