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keto-D-tagatose

PropertiesImage
MNX_IDMNXM1364100 Image of MNXM1364100
referencechebi:47693
formulaC6H12O6
global charge0
mol weight180.156
InChIKeyBJHIKXHVCXFQLS-PQLUHFTBSA-N
InChIInChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6-/m1/s1
SMILESO=C(CO)[C@@H](O)[C@@H](O)[C@H](O)CO
MNX internals
InChI (mnx)InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6-/m1/s1 Image of MNXM1364100
SMILES (mnx)[CH2:1]([C@H:3]([C@@H:5]([C@@H:6]([C:4]([CH2:2][OH:8])=[O:10])[OH:12])[OH:11])[OH:9])[OH:7]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)12
in models (compartimentalized) 11
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:47693
chebi:47693
BJHIKXHVCXFQLS-PQLUHFTBSA-N 		keto-D-tagatose
(3S,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
D-tagatose

bigg.metabolite:tag__D
biggM:tag__D
BJHIKXHVCXFQLS-PQLUHFTBSA-N 		D-Tagatose

metacyc.compound:D-tagatose
metacycM:D-tagatose
BJHIKXHVCXFQLS-PQLUHFTBSA-N 		D-tagatose

vmhM:tagat_D
vmhmetabolite:tagat_D
BJHIKXHVCXFQLS-PQLUHFTBSA-N 		D-tagatose
(2R,3S,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol

kegg.drug:D09007
keggD:D09007
BJHIKXHVCXFQLS-PQLUHFTBSA-N 		Tagatose (NF)

metacyc.compound:CPD-24954
metacycM:CPD-24954
BJHIKXHVCXFQLS-PQLUHFTBSA-N 		keto-D-tagatose
xylo-2-hexulose

biggM:M_tag__D
keggD:M_D09007
vmhM:M_tagat_D 		secondary/obsolete/fantasy identifier