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CHEBI:57585 - discadenine zwitterion

ChEBI IDCHEBI:57585
ChEBI Namediscadenine zwitterion
Stars
DefinitionZwitterionic form of discadenine having an anionic carboxy group and a protonated amino group.
Last Modified13 November 2017
DownloadsMolfile
FormulaC14H20N6O2
Net Charge0
Average Mass304.354
Monoisotopic Mass304.16477
SMILESCC(C)=CCNc1ncn(CC[C@H]([NH3+])C(=O)[O-])c2ncnc1-2
InChIInChI=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
InChIKeyKGVAAXZLUAKZEO-JTQLQIEISA-N
ChEBI Ontology
Outgoing Relation(s)
discadenine zwitterion (CHEBI:57585) is a amino-acid zwitterion (CHEBI:35238)
discadenine zwitterion (CHEBI:57585) is tautomer of discadenine (CHEBI:15955)
Incoming Relation(s)
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
UniProt Name  Source
discadenineUniProt