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:53688 - methyl β-
D
-glucuronoside
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
methyl β-
D
-glucuronoside
ChEBI ID
CHEBI:53688
ChEBI ASCII Name
methyl beta-D-glucuronoside
Definition
A derivative of β-
D
-glucuronic acid in which a methyl group is present at the anomeric position.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C7H12O7
Net Charge
0
Average Mass
208.16600
Monoisotopic Mass
208.05830
InChI
InChI=1S/C7H12O7/c1-13-7-4(10)2(8)3(9)5(14-7)6(11)12/h2-5,7-10H,1H3,(H,11,12)/t2-,3-,4+,5-,7+/m0/s1
InChIKey
BOFXVYGDIRCHEQ-GHQVIJFQSA-N
SMILES
CO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
(via
glucuronic acid
)
Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in
Escherichia coli
.
(via
glucuronic acid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
methyl β-
D
-glucuronoside (
CHEBI:53688
)
has functional parent
β-
D
-glucuronic acid (
CHEBI:28860
)
methyl β-
D
-glucuronoside (
CHEBI:53688
)
is a
D
-glucuronic acid (
CHEBI:4178
)
IUPAC Name
methyl β-
D
-glucuronoside
Synonyms
Sources
methyl β-
D
-glucopyranosiduronic acid
ChEBI
Methyl beta-glucuronide
ChemIDplus
Methyl-beta-D-glucopyranosiduronic acid
ChemIDplus
Methylglucopyranosiduronic acid
ChemIDplus
O
1
-methyl-β-
D
-glucopyranuronic acid
ChEBI
Registry Numbers
Types
Sources
4356-84-7
CAS Registry Number
ChemIDplus
84757
Reaxys Registry Number
Reaxys
Citation
Type
Source
16937053
PubMed citation
Europe PMC
Last Modified
17 January 2014