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6-Amino-9H-purine-9-propanoic acid

PropertiesImage
MNX_IDMNXM118374 Image of MNXM118374
referencechebi:168853
formulaC8H9N5O2
global charge0
mol weight207.193
InChIKeyQXAYJKFBMWMARF-UHFFFAOYSA-N
InChIInChI=1S/C8H9N5O2/c9-7-6-8(11-3-10-7)13(4-12-6)2-1-5(14)15/h3-4H,1-2H2,(H,14,15)(H2,9,10,11)
SMILESNC1=C2N=CN(CCC(=O)O)C2=NC=N1
MNX internals
InChI (mnx)InChI=1/C8H9N5O2/c9-7-6-8(11-3-10-7)13(4-12-6)2-1-5(14)15/h3-4H,1-2H2,(H,14,15)(H2,9,10,11) Image of MNXM118374
SMILES (mnx)[CH2:1]([CH2:2][N:13]1[CH:4]=[N:12][C:6]2=[C:7]([NH2:9])[N:10]=[CH:3][N:11]=[C:8]21)[C:5](=[O:14])[OH:15]
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:168853
chebi:168853
QXAYJKFBMWMARF-UHFFFAOYSA-N 		6-Amino-9H-purine-9-propanoic acid
3-(6-aminopurin-9-yl)propanoic acid
hmdb:HMDB0029939
QXAYJKFBMWMARF-UHFFFAOYSA-N 		6-Amino-9H-purine-9-propanoic acid
3-(6-Amino-9H-purin-9-yl)propanoate
3-(6-amino-9H-purin-9-yl)propanoic acid
3-(6-aminopurin-9-yl)propanoic acid
3-(9-Adeninyl)propionic acid
6-Amino-9H-purine-9-propanoate
9-(2-Carboxyethyl)adenine

hmdb:HMDB29939 		secondary/obsolete/fantasy identifier