EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:231318 - NK13650 D(2−)

ChEBI IDCHEBI:231318
ChEBI NameNK13650 D(2−)
Stars
ASCII NameNK13650 D(2-)
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC26H32N6O12
Net Charge-2
Average Mass620.572
Monoisotopic Mass620.20892
SMILESCOc1ccc(/C=C2\NC(=O)[C@H](CCCNC(N)=[NH2+])NC2=O)cc1OCC[C@H](NC(=O)C[C@](O)(CC(=O)[O-])C(=O)[O-])C(=O)[O-]
InChIInChI=1S/C26H34N6O12/c1-43-17-5-4-13(9-16-22(37)31-14(21(36)32-16)3-2-7-29-25(27)28)10-18(17)44-8-6-15(23(38)39)30-19(33)11-26(42,24(40)41)12-20(34)35/h4-5,9-10,14-15,42H,2-3,6-8,11-12H2,1H3,(H,30,33)(H,31,37)(H,32,36)(H,34,35)(H,38,39)(H,40,41)(H4,27,28,29)/p-2/b16-9-/t14-,15-,26-/m0/s1
InChIKeyVJDOKFRZSMTBQY-SBVULYHXSA-L
ChEBI Ontology
Outgoing Relation(s)
NK13650 D(2−) (CHEBI:231318) has functional parent NK13650 B(2−) (CHEBI:231317)
NK13650 D(2−) (CHEBI:231318) is a guanidinium ion (CHEBI:60251)
NK13650 D(2−) (CHEBI:231318) is a α-amino-acid cation (CHEBI:33719)
Incoming Relation(s)
NK13650 A(3−) (CHEBI:231320) has functional parent NK13650 D(2−) (CHEBI:231318)
UniProt Name  Source
NK13650 DUniProt
Citations