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:145218 - 7-hydroxyticlopidine
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
7-hydroxyticlopidine
ChEBI ID
CHEBI:145218
Definition
A thienopyridine that is ticlopidine which carries a hydroxy group at position 7. It is a metabolite of the antiplatelet drug, ticlopidine.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Mark Williams
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
C14H14ClNOS
Net Charge
0
Average Mass
279.780
Monoisotopic Mass
279.04846
InChI
InChI=1S/C14H14ClNOS/c15-12-4-2-1-3-10(12)7-16-8-11-5-6-18-14(11)13(17)9-16/h1-6,13,17H,7-9H2
InChIKey
GWHGEZHHJDSDMI-UHFFFAOYSA-N
SMILES
ClC=1C(CN2CC(C=3SC=CC3C2)O)=CC=CC1
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Biological Role
(s):
drug metabolite
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
7-hydroxyticlopidine (
CHEBI:145218
)
has functional parent
ticlopidine (
CHEBI:9588
)
7-hydroxyticlopidine (
CHEBI:145218
)
has role
drug metabolite (
CHEBI:49103
)
7-hydroxyticlopidine (
CHEBI:145218
)
is a
monochlorobenzenes (
CHEBI:83403
)
7-hydroxyticlopidine (
CHEBI:145218
)
is a
organic hydroxy compound (
CHEBI:33822
)
7-hydroxyticlopidine (
CHEBI:145218
)
is a
tertiary amino compound (
CHEBI:50996
)
7-hydroxyticlopidine (
CHEBI:145218
)
is a
thienopyridine (
CHEBI:37942
)
IUPAC Name
5-(2-chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-
c
]pyridin-7-ol
Manual Xref
Database
HMDB0013921
HMDB
View more database links
Registry Number
Type
Source
61923-09-9
CAS Registry Number
ChEBI
Citations
Types
Sources
11580286
PubMed citation
Europe PMC
19541827
PubMed citation
Europe PMC
21156812
PubMed citation
Europe PMC
Last Modified
07 November 2019