Terminology Service for NFDI4Health
JSON

D-octopine dizwitterion

Go to external page http://purl.obolibrary.org/obo/CHEBI_57520

A D-alpha-amino acid zwitterion that is D-octopine in which both carboxy groups are anionic and the secondary amino and guanidine imino functions are protonated.

Term info

Label

D-octopine dizwitterion

Synonyms
  • (2S)-5-{[amino(iminiumyl)methyl]amino}-2-{[(1R)-1-carboxylatoethyl]azaniumyl}pentanoate
database cross reference
Subsets

3_STAR

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

charge

0

formula

C9H18N4O4

has obo namespace

chebi_ontology

has related synonym

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

id

CHEBI:57520

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

mass

246.26360

monoisotopicmass

246.13281

smiles

C[C@@H]([NH2+][C@@H](CCCNC(N)=[NH2+])C([O-])=O)C([O-])=O