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CHEBI:58074 - D-nopalinate(1−)

ChEBI IDCHEBI:58074
ChEBI NameD-nopalinate(1−)
Stars
ASCII NameD-nopalinate(1-)
DefinitionConjugate base of D-nopaline in which the three carboxy groups are anionic and the secondary amino and guanidino groups are cationic; major species at pH 7.3.
Last Modified16 May 2024
DownloadsMolfile
FormulaC11H19N4O6
Net Charge-1
Average Mass303.295
Monoisotopic Mass303.13101
SMILESNC(=[NH2+])NCCC[C@H]([NH2+][C@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-]
InChIInChI=1S/C11H20N4O6/c12-11(13)14-5-1-2-6(9(18)19)15-7(10(20)21)3-4-8(16)17/h6-7,15H,1-5H2,(H,16,17)(H,18,19)(H,20,21)(H4,12,13,14)/p-1/t6-,7+/m0/s1
InChIKeyLMKYZBGVKHTLTN-NKWVEPMBSA-M
ChEBI Ontology
Outgoing Relation(s)
D-nopalinate(1−) (CHEBI:58074) is a α-amino-acid anion (CHEBI:33558)
D-nopalinate(1−) (CHEBI:58074) is conjugate base of D-nopaline (CHEBI:17249)
Incoming Relation(s)
D-nopaline (CHEBI:17249) is conjugate acid of D-nopalinate(1−) (CHEBI:58074)
IUPAC Name 
(2R)-2-{[(1S)-4-{[amino(iminio)methyl]amino}-1-carboxylatobutyl]azaniumyl}pentanedioate
Synonyms  Source
D-nopalinateChEBI
D-nopalinate anionChEBI
UniProt Name  Source
D-nopalineUniProt
Manual XrefsDatabases
CPD-308MetaCyc