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

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

	Properties	Image
MNX_ID	MNXM4260
reference	chebi:18427
formula	C₇H₁₄O₆
global charge	0
mol weight	194.183
InChIKey	DSCFFEYYQKSRSV-AGZHHQKVSA-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-/m1/s1
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-/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@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)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:18427 chebi:18427 DSCFFEYYQKSRSV-AGZHHQKVSA-N	1D-1-O-methyl-myo-inositol (-)-bornesitol (1R,2R,3S,4S,5R,6S)-6-methoxycyclohexane-1,2,3,4,5-pentol 1-O-Methyl-myo-inositol 1D-1-O-Methyl-myo-inositol D-(-)-bornesitol bornesitol
hmdb:HMDB0031437 DSCFFEYYQKSRSV-AGZHHQKVSA-N	(-)-Bornesitol (-)-bornesitol (1R,2R,3S,4S,5R,6S)-6-Methoxycyclohexane-1,2,3,4,5-pentol (1R,2R,3S,4S,5R,6S)-6-methoxycyclohexane-1,2,3,4,5-pentol 1-O-Methyl-myo-inositol 1D-1-O-Methyl-myo-inositol Bornesitol D-(-)-Bornesitol D-1-O-Methyl-myo-inositol D-Bornesitol
vmhM:1ometmistl vmhmetabolite:1ometmistl DSCFFEYYQKSRSV-AGZHHQKVSA-N	1-O-Methyl-myo-inositol (1R,2R,3S,4S,5R,6S)-6-methoxycyclohexane-1,2,3,4,5-pentol
seed.compound:cpd02296 seedM:cpd02296 DSCFFEYYQKSRSV-AGZHHQKVSA-N	1-O-Methyl-myo-inositol 1-O-methyl-myo-inositol 1D-1-O-Methyl-myo-inositol 1D-1-O-methyl-myo-inositol D-bornesitol
sabiork.compound:6771 sabiorkM:6771 DSCFFEYYQKSRSV-AGZHHQKVSA-N	1-O-Methyl-myo-inositol 1D-1-O-Methyl-myo-inositol
kegg.compound:C03659 keggC:C03659 DSCFFEYYQKSRSV-AGZHHQKVSA-N	D-Bornesitol (-)-Bornesitol 1-O-Methyl-myo-inositol 1D-1-O-Methyl-myo-inositol
metacyc.compound:1-METHYL-MYO-INOSITOL metacycM:1-METHYL-MYO-INOSITOL DSCFFEYYQKSRSV-AGZHHQKVSA-N	D-bornesitol 1-O-methyl-myo-inositol 1D-1-O-methyl-myo-inositol
hmdb:HMDB31437 chebi:11345 chebi:18985 chebi:656 keggC:M_C03659 seedM:M_cpd02296 vmhM:M_1ometmistl	secondary/obsolete/fantasy identifier