CHEBI:57585 - discadenine zwitterion

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ChEBI Name discadenine zwitterion ChEBI ID CHEBI:57585 Definition Zwitterionic form of discadenine having an anionic carboxy group and a protonated amino group. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C14H20N6O2 Net Charge 0 Average Mass 304.34760 Monoisotopic Mass 304.16477 InChI InChI=1S/C14H20N6O2/c1-9(2)3-5-16-12-11-13(18-7-17-11)20(8-19-12)6-4-10(15)14(21)22/h3,7-8,10,16H,4-6,15H2,1-2H3,(H,21,22)/t10-/m0/s1 InChIKey KGVAAXZLUAKZEO-JTQLQIEISA-N SMILES CC(C)=CCNc1ncn(CC[C@H]([NH3+])C([O-])=O)c2ncnc12 ChEBI Ontology Outgoing discadenine zwitterion (CHEBI:57585) is a amino acid zwitterion (CHEBI:35238) discadenine zwitterion (CHEBI:57585) is tautomer of discadenine (CHEBI:15955) Incoming discadenine (CHEBI:15955) is tautomer of discadenine zwitterion (CHEBI:57585) IUPAC Name (2S)-2-azaniumyl-4-{6-[(3-methylbut-2-en-1-yl)amino]-3H-purin-3-yl}butanoate Synonym Source discadenine UniProt Last Modified 13 November 2017