MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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D-allulose

	Properties	Image
MNX_ID	MNXM1372106
reference	chebi:27605
formula	C₆H₁₂O₆
global charge	0
mol weight	180.156
InChIKey	BJHIKXHVCXFQLS-PUFIMZNGSA-N
InChI	InChI=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
SMILES	O=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
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)	5
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:27605 chebi:27605 BJHIKXHVCXFQLS-PUFIMZNGSA-N	D-allulose D-Allulose D-Altrulose D-Pseudofructose D-Psi D-Psicose D-erythro-Hexulose D-psicose D-ribo-2-Hexulose D-ribo-2-Ketohexulose D-ribo-hex-2-ulose
sabiork.compound:1508 sabiorkM:1508 BJHIKXHVCXFQLS-PUFIMZNGSA-N	D-Psicose D-Allulose D-Altrulose D-Erythro-hexulose D-Pseudofructose D-Ribo-2-hexulose D-Ribo-2-ketohexulose D-erythro-Hexulose D-ribo-2-Hexulose D-ribo-2-Ketohexulose
metacyc.compound:D-Psicose metacycM:D-Psicose BJHIKXHVCXFQLS-PUFIMZNGSA-N	D-psicose D-allulose
metacyc.compound:Ket0-D-Psicose metacycM:Ket0-D-Psicose BJHIKXHVCXFQLS-PUFIMZNGSA-N	keto-D-psicose D-allulose D-altrulose D-ribo-2-hexulose D-ribo-2-ketohexose D-ribohexulose erythrohexulose pseudofructose psicose
chebi:21071 chebi:4227	secondary/obsolete/fantasy identifier