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D-octopine(1-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_67037

An D-alpha-amino acid anion arising from deprotonation of the carboxy groups and protonation of the guanidino group of D-octopine.

Term info

Label

D-octopine(1-)

Synonyms
  • (2S)-5-[(ammoniocarbonoimidoyl)amino]-2-{[(1R)-1-carboxylatoethyl]amino}pentanoate
Subsets

3_STAR

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

charge

-1

formula

C9H17N4O4

has obo namespace

chebi_ontology

id

CHEBI:67037

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)/p-1/t5-,6+/m1/s1

inchikey

IMXSCCDUAFEIOE-RITPCOANSA-M

mass

245.25620

monoisotopicmass

245.12553

smiles

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