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L-lupinate

Properties Image Occurences in reactions MNX_ID MNXM1377563 #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0 formula C13H18N6O3 charge 0 mass 306.326 reference chebi:58927 InChIKey LJJHXRRUVASJDX-WWQRDVDESA-N InChI InChI=1S/C13H18N6O3/c1-8(5-20)2-3-15-11-10-12(17-6-16-11)19(7-18-10)4-9(14)13(21)22/h2,6-7,9,20H,3-5,14H2,1H3,(H,21,22)(H,15,16,17)/b8-2+/t9-/m0/s1 SMILES [CH3:1]/[C:8](=[CH:2]\[CH2:3][NH:15][c:11]1[c:10]2[c:12]([n:17][cH:6][n:16]1)[n:19]([CH2:4][C@@H:9]([C:13](=[O:21])[OH:22])[NH2:14])[cH:7][n:18]2)[CH2:5][OH:20]

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Similar chemical compounds in external resources

Identifier	Description
CHEBI:58927 chebi:58927	L-lupinate (2S)-2-azaniumyl-3-(6-{[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]amino}-9H-purin-9-yl)propanoate L-lupinic acid zwitterion
CHEBI:15877 chebi:15877	L-lupinate (S)-2-amino-3-{[(E)-4-hydroxy-3-methylbut-2-enylamino]purin-9-yl}propanoate 3-[N(6)-(4-hydroxyisopentenyl)adeninyl]-L-alaninate 3-{6-[(2E)-4-hydroxy-3-methylbut-2-en-1-ylamino]-9H-purin-9-yl}-L-alaninate
CHEBI:6572 chebi:6572	L-lupinic acid (S)-2-Amino-3-{[(E)-4-hydroxy-3-methylbut-2-enylamino]purin-9-yl}propanoic acid (S)-2-amino-3-{[(E)-4-hydroxy-3-methylbut-2-enylamino]purin-9-yl}propanoic acid 3-[N(6)-(4-hydroxyisopentenyl)adeninyl]-L-alanine 3-[N6-(4-Hydroxyisopentenyl)adeninyl]-L-alanine 3-{6-[(2E)-4-hydroxy-3-methylbut-2-en-1-ylamino]-9H-purin-9-yl}-L-alanine Lupinic acid
vmhM:lupnt vmhmetabolite:lupnt	Lupinate
seed.compound:cpd01070 seedM:cpd01070	Lupinate (S)-2-Amino-3-{[(E)-4-hydroxy-3-methylbut-2-enylamino]purin-9- yl}propanoic acid (S)-2-Amino-3-{[(E)-4-hydroxy-3-methylbut-2-enylamino]purin-9-yl}propanoic acid 3-[N6-(4-Hydroxyisopentenyl)adeninyl]-L-alanine Lupinic acid lupinate
chebi:14535 chebi:25082 seedM:M_cpd01070	secondary/obsolete/fantasy identifier