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CHEBI:231317 - NK13650 B(2−)

ChEBI IDCHEBI:231317
ChEBI NameNK13650 B(2−)
Stars
ASCII NameNK13650 B(2-)
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC25H30N6O12
Net Charge-2
Average Mass606.545
Monoisotopic Mass606.19327
SMILESNC(=[NH2+])NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)c(OCC[C@H](NC(=O)C[C@](O)(CC(=O)[O-])C(=O)[O-])C(=O)[O-])c2)NC1=O
InChIInChI=1S/C25H32N6O12/c26-24(27)28-6-1-2-13-20(36)31-15(21(37)30-13)8-12-3-4-16(32)17(9-12)43-7-5-14(22(38)39)29-18(33)10-25(42,23(40)41)11-19(34)35/h3-4,8-9,13-14,32,42H,1-2,5-7,10-11H2,(H,29,33)(H,30,37)(H,31,36)(H,34,35)(H,38,39)(H,40,41)(H4,26,27,28)/p-2/b15-8-/t13-,14-,25-/m0/s1
InChIKeyGRAFKVRBLJRCBH-NCBISDQCSA-L
ChEBI Ontology
Outgoing Relation(s)
NK13650 B(2−) (CHEBI:231317) has functional parent cyclo(L-arginyl-(Z)-dehydro-4-O-homoseryl-tyrosyl) (CHEBI:231316)
NK13650 B(2−) (CHEBI:231317) is a guanidinium ion (CHEBI:60251)
NK13650 B(2−) (CHEBI:231317) is a α-amino-acid cation (CHEBI:33719)
NK13650 B(2−) (CHEBI:231317) is conjugate base of NK13650B (CHEBI:215284)
Incoming Relation(s)
NK13650 C(3−) (CHEBI:231319) has functional parent NK13650 B(2−) (CHEBI:231317)
NK13650 D(2−) (CHEBI:231318) has functional parent NK13650 B(2−) (CHEBI:231317)
NK13650B (CHEBI:215284) is conjugate acid of NK13650 B(2−) (CHEBI:231317)
UniProt Name  Source
NK13650 BUniProt
Citations