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

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1D-5-O-methyl-myo-inositol

	Properties	Image
MNX_ID	MNXM3145
reference	chebi:15975
formula	C₇H₁₄O₆
global charge	0
mol weight	194.183
InChIKey	DSCFFEYYQKSRSV-GWJPIIGYSA-N
InChI	InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3+,4-,5-,6+,7+
SMILES	CO[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O

MNX internals

InChI (mnx)	InChI=1/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3+,4-,5-,6+,7+
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@H:4]([OH:10])[C@H:6]1[OH:12]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:15975 chebi:15975 DSCFFEYYQKSRSV-GWJPIIGYSA-N	1D-5-O-methyl-myo-inositol (1R,2S,3r,4R,5S,6r)-6-methoxycyclohexane-1,2,3,4,5-pentol 1D-5-O-Methyl-myo-inositol 5-O-Methyl-myo-inositol Sequoyitol
kegg.compound:C03365 keggC:C03365 DSCFFEYYQKSRSV-GWJPIIGYSA-N	5-O-Methyl-myo-inositol 1D-5-O-Methyl-myo-inositol Sequoyitol
hmdb:HMDB0031449 DSCFFEYYQKSRSV-GWJPIIGYSA-N	Sequoyitol (1R,2S,3R,4R,5S,6R)-6-Methoxycyclohexane-1,2,3,4,5-pentol (1R,2S,3r,4R,5S,6r)-6-methoxycyclohexane-1,2,3,4,5-pentol 1D-5-O-Methyl-myo-inositol 5-O-Methyl-myo-inositol sequoyitol
seed.compound:cpd02136 seedM:cpd02136 DSCFFEYYQKSRSV-GWJPIIGYSA-N	Sequoyitol 1D-5-O-Methyl-myo-inositol 1D-5-O-methyl-myo-inositol 5-O-Methyl-myo-inositol 5-O-methyl-myo-inositol sequoyitol
metacyc.compound:5-O-METHYL-MYO-INOSITOL metacycM:5-O-METHYL-MYO-INOSITOL DSCFFEYYQKSRSV-GWJPIIGYSA-N	sequoyitol 1D-5-O-methyl-myo-inositol 5-O-methyl-myo-inositol
hmdb:HMDB31449 chebi:12096 chebi:20535 chebi:2107 keggC:M_C03365 seedM:M_cpd02136	secondary/obsolete/fantasy identifier