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ChEBI
> Main
CHEBI:49002 -
N
-acetyl-
L
-citrulline
Main
ChEBI Ontology
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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
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Molfile
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Molfile
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Formula
C8H15N3O4
Net Charge
0
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 (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
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
(2
S
)-2-acetamido-5-(carbamoylamino)pentanoic acid
N
2
-
acetyl-
N
5
-
carbamoyl-
L
-
ornithine
Synonyms
Sources
(2
S
)-2-(acetylamino)-5-[(aminocarbonyl)amino]pentanoic acid
ChEBI
(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACID
PDBeChem
Manual Xrefs
Databases
C15532
KEGG COMPOUND
DB02368
DrugBank
OLN
PDBeChem
View more database links
Last Modified
03 October 2016