CHEBI:57520 - D-octopine dizwitterion

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ChEBI Name D-octopine dizwitterion
ChEBI ASCII Name D-octopine dizwitterion
Definition A D-α-amino acid zwitterion that is D-octopine in which both carboxy groups are anionic and the secondary amino and guanidine imino functions are protonated.
Stars This entity has been manually annotated by the ChEBI Team.
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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
SMILES C[C@@H]([NH2+][C@@H](CCCNC(N)=[NH2+])C([O-])=O)C([O-])=O
ChEBI Ontology
Outgoing D-octopine dizwitterion (CHEBI:57520) is a D-α-amino acid zwitterion (CHEBI:59871)
D-octopine dizwitterion (CHEBI:57520) is conjugate acid of D-octopine(1−) (CHEBI:67037)
D-octopine dizwitterion (CHEBI:57520) is tautomer of D-octopine (CHEBI:15805)
Incoming D-octopine(1−) (CHEBI:67037) is conjugate base of D-octopine dizwitterion (CHEBI:57520)
D-octopine (CHEBI:15805) is tautomer of D-octopine dizwitterion (CHEBI:57520)
Synonyms Sources
(2S)-5-{[amino(iminio)methyl]amino}-2-{[(1R)-1-carboxylatoethyl]ammonio}pentanoate ChEBI
D-octopine UniProt
Manual Xref Database
CPD-309 MetaCyc
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Last Modified
06 May 2015