D-octopine dizwitterion (CHEBI:57520)

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ChEBI Name	D-octopine dizwitterion

ChEBI ID	CHEBI:57520

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

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]([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)

IUPAC Name

(2S)-5-{[amino(iminiumyl)methyl]amino}-2-{[(1R)-1-carboxylatoethyl]azaniumyl}pentanoate

Synonyms	Sources
(2S)-5-{[amino(iminio)methyl]amino}-2-{[(1R)-1-carboxylatoethyl]ammonio}pentanoate	ChEBI
D-octopine	UniProt

Last Modified

06 May 2015