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2-acetyl-4(5)-tetrahydroxybutyl imidazole

PropertiesImage
MNX_IDMNXM114895 Image of MNXM114895
referencechebi:233845
formulaC9H14N2O5
global charge0
mol weight230.22
InChIKeyCQSIXFHVGKMLGQ-BWZBUEFSSA-N
InChIInChI=1S/C9H14N2O5/c1-4(13)9-10-2-5(11-9)7(15)8(16)6(14)3-12/h2,6-8,12,14-16H,3H2,1H3,(H,10,11)/t6-,7-,8-/m1/s1
SMILESCC(=O)C1=NC([C@@H](O)[C@H](O)[C@H](O)CO)=CN1
MNX internals
InChI (mnx)InChI=1/C9H14N2O5/c1-4(13)9-10-2-5(11-9)7(15)8(16)6(14)3-12/h2,6-8,12,14-16H,3H2,1H3,(H,10,11)/t6-,7-,8-/m1/s1 Image of MNXM114895
SMILES (mnx)[CH3:1][C:4]([C:9]1=[N:11][C:5]([C@H:7]([C@@H:8]([C@@H:6]([CH2:3][OH:12])[OH:14])[OH:16])[OH:15])=[CH:2][NH:10]1)=[O:13]
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:233845
chebi:233845
CQSIXFHVGKMLGQ-BWZBUEFSSA-N 		2-acetyl-4(5)-tetrahydroxybutyl imidazole
1-[5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-imidazol-2-yl]ethanone
THI
hmdb:HMDB0029756
CQSIXFHVGKMLGQ-UHFFFAOYSA-N 		(1R,2S,3R)-2-Acetyl-4(5)-(1,2,3,4-tetrahydroxybutyl)imidazole
1-[4-(1,2,3,4-tetrahydroxybutyl)-1H-imidazol-2-yl]ethan-1-one
1-[4-(1,2,3,4-tetrahydroxybutyl)-1H-imidazol-2-yl]ethanone
2-ATHBI
2-Acetyl-4(5)-(1,2,3,4-tetrahydroxybutyl)-imidazole (thi)
2-Acetyl-4(5)-(1,2,3,4-tetrahydroxybutyl)imidazole
2-Acetyl-4(5)-tetrahydroxybutylimidazole
2-Acetyl-4-tetrahydroxybutylimidazole

CHEBI:174180
chebi:174180
CQSIXFHVGKMLGQ-UHFFFAOYSA-N 		(1R,2S,3R)-2-Acetyl-4(5)-(1,2,3,4-tetrahydroxybutyl)imidazole
1-[5-(1,2,3,4-tetrahydroxybutyl)-1H-imidazol-2-yl]ethanone

hmdb:HMDB29756 		secondary/obsolete/fantasy identifier