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discadenine

PropertiesImage
MNX_IDMNXM4578 Image of MNXM4578
referencechebi:57585
formulaC14H20N6O2
global charge0
mol weight304.354
InChIKeyKGVAAXZLUAKZEO-JTQLQIEISA-N
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
SMILESCC(C)=CCNC1=C2N=CN=C2N(CC[C@H]([NH3+])C(=O)[O-])C=N1
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 Image of MNXM4578
SMILES (mnx)[CH3:1][C:9]([CH3:2])=[CH:3][CH2:5][NH:16][C:12]1=[C:11]2[C:13](=[N:18][CH:7]=[N:17]2)[N:20]([CH2:6][CH2:4][C@@H:10]([C:14](=[O:21])[OH:22])[NH2:15])[CH:8]=[N:19]1
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
IdentifierDescription

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