Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:18173 - 1
D
-5-
O
-methyl-
chiro
-inositol
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
1
D
-5-
O
-methyl-
chiro
-inositol
ChEBI ID
CHEBI:18173
ChEBI ASCII Name
1D-5-O-methyl-chiro-inositol
Definition
A cyclitol ether formed by etherification of the 5-hydroxy group of 1
D
-
chiro
-inositol.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:2133, CHEBI:20634
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
Formula
C7H14O6
Net Charge
0
Average Mass
194.18246
Monoisotopic Mass
194.07904
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
InChIKey
DSCFFEYYQKSRSV-NYLBLOMBSA-N
SMILES
CO[C@H]1[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
1
D
-5-
O
-methyl-
chiro
-inositol (
CHEBI:18173
)
has functional parent
1
D
-
chiro
-inositol (
CHEBI:27372
)
1
D
-5-
O
-methyl-
chiro
-inositol (
CHEBI:18173
)
has role
plant metabolite (
CHEBI:76924
)
1
D
-5-
O
-methyl-
chiro
-inositol (
CHEBI:18173
)
is a
cyclitol ether (
CHEBI:61362
)
IUPAC Name
1
D
-5-
O
-methyl-
chiro
-inositol
Synonyms
Sources
(1
S
,2
R
,3
R
,4
R
,5
S
,6
S
)-6-methoxycyclohexane-1,2,3,4,5-pentol
IUPAC
1
D
-(1,2,4/3,5,6)-5-
O
-methylcyclohexanehexol
IUPAC
5-
O
-methyl-1
D
-
chiro
-inositol
ChEBI
Manual Xrefs
Databases
20120106
ChemSpider
HMDB0062564
HMDB
View more database links
Registry Numbers
Types
Sources
152203-10-6
CAS Registry Number
ChEBI
4291950
Reaxys Registry Number
Reaxys
Last Modified
11 March 2021