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lupinic acid

PropertiesImagewith InChI numberingOccurences in reactions
MNX_IDMNXM1378943 Image of MNXM1378943 Image of MNXM1378943
#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
formulaC13H18N6O3
charge0
mass306.326
referencechebi:30885
InChIKeyLJJHXRRUVASJDX-KRXBUXKQSA-N
InChIInChI=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+
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][CH: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
IdentifierDescription
CHEBI:30885
chebi:30885 		lupinic acid
3-{6-[(2E)-4-hydroxy-3-methylbut-2-en-1-ylamino]-9H-purin-9-yl}-alanine
metacyc.compound:CPD-669
metacycM:CPD-669 		lupinate
chebi:25083 secondary/obsolete/fantasy identifier