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discadenine

Properties Image MNX_ID MNXM4578 reference chebi:57585 formula C14H20N6O2 global charge 0 mol weight 304.354 InChIKey KGVAAXZLUAKZEO-JTQLQIEISA-N 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 SMILES CC(C)=CCNc1ncn(CC[C@H]([NH3+])C(=O)[O-])c2ncnc1-2 MNX internals InChI (mnx) InChI=1/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 SMILES (mnx) [C:1]12=[CH:4][CH:9]=[CH:6][C:2]1=[C:5]([CH2:11][CH2:13]/[N:15]=[N:18](\[OH:21])[OH:22])[CH:10]=[CH:7][CH:3]2[CH2:8][CH2:12][C@@H:14]([N:16](=[NH:19])[NH2:20])[NH2:17]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
CHEBI:57585 chebi:57585 KGVAAXZLUAKZEO-JTQLQIEISA-N	discadenine (2S)-2-azaniumyl-4-{6-[(3-methylbut-2-en-1-yl)amino]-3H-purin-3-yl}butanoate discadenine zwitterion
kegg.compound:C01804 keggC:C01804 KGVAAXZLUAKZEO-UHFFFAOYSA-N	Discadenine 3-(3-Amino-3-carboxypropyl)-N6-(Delta2-isopentenyl)-adenine
seed.compound:cpd01244 seedM:cpd01244 KGVAAXZLUAKZEO-UHFFFAOYSA-N	Discadenine 3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine discadenine
metacyc.compound:DISCADENINE metacycM:DISCADENINE KGVAAXZLUAKZEO-UHFFFAOYSA-N	discadenine
CHEBI:62934 chebi:62934 KGVAAXZLUAKZEO-JTQLQIEISA-M	discadenine(1-) discadenine anion
CHEBI:15955 chebi:15955 KGVAAXZLUAKZEO-JTQLQIEISA-N	discadenine (2S)-2-amino-4-{6-[(3-methylbut-2-en-1-yl)amino]-3H-purin-3-yl}butanoic acid 3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine 3-(3-amino-3-carboxypropyl)-N6-(delta2)-isopentenyladenine Discadenine alpha-amino-6-((3-methyl-2-butenyl)amino)-3H-purine-3-butanoic acid
chebi:14183 chebi:23845 chebi:4655 keggC:M_C01804 seedM:M_cpd01244	secondary/obsolete/fantasy identifier