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:32636 - acetaminophen
O
-β-
D
-glucosiduronic acid
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
acetaminophen
O
-β-
D
-glucosiduronic acid
ChEBI ID
CHEBI:32636
ChEBI ASCII Name
acetaminophen O-beta-D-glucosiduronic acid
Definition
A β-
D
-glucosiduronic acid that is the
O
-glucuronide of paracetamol (acetaminophen).
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
C14H17NO8
Net Charge
0
Average Mass
327.28672
Monoisotopic Mass
327.09542
InChI
InChI=1S/C14H17NO8/c1-
6(16)
15-
7-
2-
4-
8(5-
3-
7)
22-
14-
11(19)
9(17)
10(18)
12(23-
14)
13(20)
21/h2-
5,9-
12,14,17-
19H,1H3,(H,15,16)
(H,20,21)
/t9-
,10-
,11+,12-
,14+/m0/s1
InChIKey
IPROLSVTVHAQLE-BYNIDDHOSA-N
SMILES
CC(=O)Nc1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)cc1
Roles Classification
Biological Role
(s):
drug metabolite
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
acetaminophen
O
-β-
D
-glucosiduronic acid (
CHEBI:32636
)
has functional parent
β-
D
-glucuronic acid (
CHEBI:28860
)
acetaminophen
O
-β-
D
-glucosiduronic acid (
CHEBI:32636
)
has functional parent
paracetamol (
CHEBI:46195
)
acetaminophen
O
-β-
D
-glucosiduronic acid (
CHEBI:32636
)
has role
drug metabolite (
CHEBI:49103
)
acetaminophen
O
-β-
D
-glucosiduronic acid (
CHEBI:32636
)
is a
β-
D
-glucosiduronic acid (
CHEBI:15341
)
acetaminophen
O
-β-
D
-glucosiduronic acid (
CHEBI:32636
)
is conjugate acid of
acetaminophen
O
-β-
D
-glucosiduronate (
CHEBI:132962
)
Incoming
acetaminophen
O
-β-
D
-glucosiduronate (
CHEBI:132962
)
is conjugate base of
acetaminophen
O
-β-
D
-glucosiduronic acid (
CHEBI:32636
)
IUPAC Name
4-acetamidophenyl β-
D
-glucopyranosiduronic acid
Synonyms
Sources
Acetaminophen glucuronide
ChemIDplus
Paracetamol glucuronide
ChemIDplus
Manual Xref
Database
HMDB0010316
HMDB
View more database links
Registry Numbers
Types
Sources
16110-10-4
CAS Registry Number
ChemIDplus
46644
Reaxys Registry Number
Reaxys
Citation
Type
Source
22770225
PubMed citation
Europe PMC
Last Modified
12 August 2016