CHEBI:231317 - NK13650 B(2−)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name NK13650 B(2−)
ChEBI ID CHEBI:231317
ChEBI ASCII Name NK13650 B(2-)
Definition Major microspecies at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C25H30N6O12
Net Charge -2
Average Mass 606.546
Monoisotopic Mass 606.19327
InChI InChI=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
InChIKey GRAFKVRBLJRCBH-NCBISDQCSA-L
SMILES C1(/C(/NC([C@@H](N1)CCCNC(N)=[NH2+])=O)=C/C2=CC=C(C(=C2)OCC[C@H](NC(=O)C[C@](CC([O-])=O)(C(=O)[O-])O)C(=O)[O-])O)=O
ChEBI Ontology
Outgoing 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 α-amino-acid cation (CHEBI:33719)
NK13650 B(2−) (CHEBI:231317) is a guanidinium ion (CHEBI:60251)
Incoming 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)
Synonym Source
NK13650 B UniProt
Citation Waiting for Citations Type Source
36702957 PubMed citation SUBMITTER