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CHEBI:57520 - D-octopine dizwitterion

ChEBI IDCHEBI:57520
ChEBI NameD-octopine dizwitterion
Stars
ASCII NameD-octopine dizwitterion
DefinitionA 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.
Last Modified6 May 2015
DownloadsMolfile
FormulaC9H18N4O4
Net Charge0
Average Mass246.267
Monoisotopic Mass246.13281
SMILESC[C@@H]([NH2+][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)/t5-,6+/m1/s1
InChIKeyIMXSCCDUAFEIOE-RITPCOANSA-N
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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
Synonym  Source
(2S)-5-{[amino(iminio)methyl]amino}-2-{[(1R)-1-carboxylatoethyl]ammonio}pentanoateChEBI
UniProt Name  Source
D-octopineUniProt
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CPD-309MetaCyc