CHEBI:15805 - D-octopine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name D-octopine
ChEBI ID CHEBI:15805
ChEBI ASCII Name D-octopine
Definition The (1R)-1-carboxyethyl derivative of L-arginine. It is a metabolite released by plant tumours.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:7366, CHEBI:12631, CHEBI:21810
Supplier Information eMolecules:593034, ZINC000001529867
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Formula C9H18N4O4
Net Charge 0
Average Mass 246.26360
Monoisotopic Mass 246.13281
InChI InChI=1S/C9H18N4O4/c1-5(7(14)15)13-6(8(16)17)3-2-4-12-9(10)11/h5-6,13H,2-4H2,1H3,(H,14,15)(H,16,17)(H4,10,11,12)/t5-,6+/m1/s1
InChIKey IMXSCCDUAFEIOE-RITPCOANSA-N
SMILES C[C@@H](N[C@@H](CCCNC(N)=N)C(O)=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): animal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound.
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
(via opine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing D-octopine (CHEBI:15805) has role animal metabolite (CHEBI:75767)
D-octopine (CHEBI:15805) has role xenobiotic metabolite (CHEBI:76206)
D-octopine (CHEBI:15805) is a D-arginine derivative (CHEBI:83966)
D-octopine (CHEBI:15805) is a amino acid opine (CHEBI:83229)
D-octopine (CHEBI:15805) is a amino dicarboxylic acid (CHEBI:36164)
D-octopine (CHEBI:15805) is a guanidines (CHEBI:24436)
D-octopine (CHEBI:15805) is a secondary amino compound (CHEBI:50995)
D-octopine (CHEBI:15805) is conjugate acid of D-octopine(1−) (CHEBI:67037)
D-octopine (CHEBI:15805) is tautomer of D-octopine dizwitterion (CHEBI:57520)
Incoming D-octopine(1−) (CHEBI:67037) is conjugate base of D-octopine (CHEBI:15805)
D-octopine dizwitterion (CHEBI:57520) is tautomer of D-octopine (CHEBI:15805)
IUPAC Name
N2-[(1R)-1-carboxyethyl]-L-arginine
Synonyms Sources
Arginine, N2-(1-carboxyethyl)-, L- KEGG COMPOUND
D-(+)-Octopine KEGG COMPOUND
D-Octopine KEGG COMPOUND
D-octopine IUBMB
L-Arginine, N2-(1-carboxyethyl)-, (R)- KEGG COMPOUND
L-Arginine, N2-[(1R)-1-carboxyethyl]- KEGG COMPOUND
N2-(1-Carboxyethyl)-L-arginine KEGG COMPOUND
N2-(D-1-Carboxyethyl)-L-arginine KEGG COMPOUND
N2-(D-1-Carboxyethyl)-L-arginine KEGG COMPOUND
N2-(D-1-carboxyethyl)-L-arginine IUBMB
Octopine KEGG COMPOUND
Manual Xrefs Databases
C00001549 KNApSAcK
C04137 KEGG COMPOUND
CPD-309 MetaCyc
Octopine Wikipedia
View more database links
Registry Numbers Types Sources
1729145 Reaxys Registry Number Reaxys
34522-32-2 CAS Registry Number KEGG COMPOUND
34522-32-2 CAS Registry Number ChemIDplus
Citations Waiting for Citations
Last Modified
02 December 2014