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lupinic acid

MNXM4029 is deprecated and here replaced by MNXM735492
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM735492 Image of MNXM735492
referencechebi:30885
formulaC13H18N6O3
global charge0
mol weight306.326
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+
SMILESC/C(=C\CNC1=NC=NC2=C1N=CN2CC(N)C(=O)O)CO
MNX internals
InChI (mnx)InChI=1/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? Image of MNXM735492
SMILES (mnx)[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]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:30885
chebi:30885
LJJHXRRUVASJDX-KRXBUXKQSA-N 		lupinic acid
3-{6-[(2E)-4-hydroxy-3-methylbut-2-en-1-ylamino]-9H-purin-9-yl}-alanine

chebi:25083 		secondary/obsolete/fantasy identifier