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CHEBI:28310 - 1D-3-O-methyl-myo-inositol

ChEBI IDCHEBI:28310
ChEBI Name1D-3-O-methyl-myo-inositol
Stars
ASCII Name1D-3-O-methyl-myo-inositol
DefinitionA member of the class of methyl myo-inositols that is cyclohexane-1,2,3,4,5-pentol substituted by a methoxy group at position 6 (the 1S,2R,3R,4S,5S,6R-isomer).
Secondary ChEBI IDsCHEBI:1614, CHEBI:11348, CHEBI:19949
Last Modified13 November 2017
DownloadsMolfile
FormulaC7H14O6
Net Charge0
Average Mass194.183
Monoisotopic Mass194.07904
SMILESCO[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=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-/m0/s1
InChIKeyDSCFFEYYQKSRSV-ABXOWTNVSA-N
Species of MetaboliteComponentSourceComments
Eysenhardtia platycarpa (ncbitaxon:252459) branch (BTO:0000148) PubMed (17190443)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
1D-3-O-methyl-myo-inositol (CHEBI:28310) has role plant metabolite (CHEBI:76924)
1D-3-O-methyl-myo-inositol (CHEBI:28310) is a methyl myo-inositols (CHEBI:25270)
IUPAC Name 
1D-3-O-methyl-myo-inositol
Synonyms  Source
3-O-Methyl-myo-inositolKEGG COMPOUND
1D-3-O-Methyl-myo-inositolKEGG COMPOUND
(1S,2R,3R,4S,5S,6R)-6-methoxycyclohexane-1,2,3,4,5-pentolIUPAC
UniProt Name  Source
1D-3-O-methyl-myo-inositolUniProt
Manual XrefsDatabases
C03660KEGG COMPOUND
Registry NumbersSources
Reaxys:2043790Reaxys
Citations