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CHEBI:67037 - D-octopine(1−)

ChEBI IDCHEBI:67037
ChEBI NameD-octopine(1−)
Stars
ASCII NameD-octopine(1-)
DefinitionAn D-α-amino acid anion arising from deprotonation of the carboxy groups and protonation of the guanidino group of D-octopine.
Last Modified3 October 2014
Submitternamrata
DownloadsMolfile
FormulaC9H17N4O4
Net Charge-1
Average Mass245.259
Monoisotopic Mass245.12553
SMILESC[C@@H](N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-])C(=O)[O-]
InChIInChI=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
InChIKeyIMXSCCDUAFEIOE-RITPCOANSA-M
ChEBI Ontology
Outgoing Relation(s)
D-octopine(1−) (CHEBI:67037) is a D-α-amino acid anion (CHEBI:60895)
D-octopine(1−) (CHEBI:67037) is conjugate base of D-octopine (CHEBI:15805)
D-octopine(1−) (CHEBI:67037) is conjugate base of D-octopine dizwitterion (CHEBI:57520)
Incoming Relation(s)
D-octopine (CHEBI:15805) is conjugate acid of D-octopine(1−) (CHEBI:67037)
D-octopine dizwitterion (CHEBI:57520) is conjugate acid of D-octopine(1−) (CHEBI:67037)
IUPAC Name 
(2S)-5-[(ammoniocarbonoimidoyl)amino]-2-{[(1R)-1-carboxylatoethyl]amino}pentanoate