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CHEBI:231319 - NK13650 C(3−)

ChEBI IDCHEBI:231319
ChEBI NameNK13650 C(3−)
Stars
ASCII NameNK13650 C(3-)
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC30H36N7O15
Net Charge-3
Average Mass734.652
Monoisotopic Mass734.22858
SMILESCOc1ccc(/C=C2\NC(=O)[C@H](CCCNC(N)=[NH2+])NC2=O)cc1OCC[C@H](NC(=O)C[C@](O)(CC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-]
InChIInChI=1S/C30H39N7O15/c1-51-19-5-4-14(9-17-25(43)36-15(24(42)37-17)3-2-7-33-29(31)32)10-20(19)52-8-6-16(26(44)45)34-21(38)12-30(50,28(48)49)13-22(39)35-18(27(46)47)11-23(40)41/h4-5,9-10,15-16,18,50H,2-3,6-8,11-13H2,1H3,(H,34,38)(H,35,39)(H,36,43)(H,37,42)(H,40,41)(H,44,45)(H,46,47)(H,48,49)(H4,31,32,33)/p-3/b17-9-/t15-,16-,18-,30-/m0/s1
InChIKeyUVRNONDKFJRPCJ-QEUCXVEYSA-K
ChEBI Ontology
Outgoing Relation(s)
NK13650 C(3−) (CHEBI:231319) has functional parent NK13650 B(2−) (CHEBI:231317)
NK13650 C(3−) (CHEBI:231319) is a guanidinium ion (CHEBI:60251)
NK13650 C(3−) (CHEBI:231319) is a α-amino-acid cation (CHEBI:33719)
UniProt Name  Source
NK13650 CUniProt
Citations