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

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2D-5-O-methyl-2,3,5/4,6-pentahydroxycyclohexanone

	Properties	Image
MNX_ID	MNXM2075
reference	chebi:16058
formula	C₇H₁₂O₆
global charge	0
mol weight	192.167
InChIKey	VKPFEZAOAAZDPP-QCNSFQOVSA-N
InChI	InChI=1S/C7H12O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-3,5-9,11-12H,1H3/t2-,3+,5-,6+,7+/m1/s1
SMILES	CO[C@H]1[C@H](O)[C@@H](O)[C@@H](O)C(=O)[C@@H]1O

MNX internals

InChI (mnx)	InChI=1/C7H12O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-3,5-9,11-12H,1H3/t2-,3+,5-,6+,7+/m1/s1
SMILES (mnx)	[CH3:1][O:13][C@H:7]1[C@H:5]([OH:11])[C@@H:3]([OH:9])[C@@H:2]([OH:8])[C:4](=[O:10])[C@@H:6]1[OH:12]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16058 chebi:16058 VKPFEZAOAAZDPP-QCNSFQOVSA-N	2D-5-O-methyl-2,3,5/4,6-pentahydroxycyclohexanone (2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-methoxycyclohexanone 5D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone
kegg.compound:C01295 keggC:C01295 VKPFEZAOAAZDPP-QCNSFQOVSA-N	2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone 5D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone
metacyc.compound:PENTAHYDROXYCYCLOHEXANONE metacycM:PENTAHYDROXYCYCLOHEXANONE VKPFEZAOAAZDPP-QCNSFQOVSA-N	2D-5-O-methyl-2,3,5/4,6-pentahydroxycyclohexanone
seed.compound:cpd00951 seedM:cpd00951 VKPFEZAOAAZDPP-QCNSFQOVSA-N	D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone 2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone 2D-5-O-methyl-2,3,5/4,6-pentahydroxycyclohexanone 5D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone myo-inosose-1
chebi:12181 chebi:20633 chebi:2132 keggC:M_C01295 seedM:M_cpd00951	secondary/obsolete/fantasy identifier