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discadenine

Properties

Image

Occurences in reactions

MNX_ID

MNXM4578

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₁₄H₂₀N₆O₂

charge

mass

304.354

reference

chebi:57585

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

[CH3:1][C:9]([CH3:2])=[CH:3][CH2:5][NH:16][c:12]1[c:11]2[n:17][cH:7][n:18][c:13]-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

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57585 chebi:57585	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	Discadenine 3-(3-Amino-3-carboxypropyl)-N6-(Delta2-isopentenyl)-adenine
seed.compound:cpd01244 seedM:cpd01244	Discadenine 3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine discadenine
metacyc.compound:DISCADENINE metacycM:DISCADENINE	discadenine
CHEBI:62934 chebi:62934	discadenine(1-) discadenine anion
CHEBI:15955 chebi:15955	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