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:43299 - 6-(3-hydroxypropyl)thymine
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
6-(3-hydroxypropyl)thymine
ChEBI ID
CHEBI:43299
Definition
A pyrimidone that is thymine in which the hydrogen at position 6 is substituted by a 3-hydroxypropyl group.
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
more structures >>
Molfile
expand
Formula
C8H12N2O3
Net Charge
0
Average Mass
184.19250
Monoisotopic Mass
184.08479
InChI
InChI=1S/C8H12N2O3/c1-5-6(3-2-4-11)9-8(13)10-7(5)12/h11H,2-4H2,1H3,(H2,9,10,12,13)
InChIKey
OIEJBPVNLZZLGQ-UHFFFAOYSA-N
SMILES
Cc1c(CCCO)[nH]c(=O)[nH]c1=O
ChEBI Ontology
Outgoing
6-(3-hydroxypropyl)thymine (
CHEBI:43299
)
has functional parent
thymine (
CHEBI:17821
)
6-(3-hydroxypropyl)thymine (
CHEBI:43299
)
is a
primary alcohol (
CHEBI:15734
)
6-(3-hydroxypropyl)thymine (
CHEBI:43299
)
is a
pyrimidone (
CHEBI:38337
)
IUPAC Name
6-(3-hydroxypropyl)-5-methylpyrimidine-2,4(1
H
,3
H
)-dione
Synonym
Source
6-HYDROXYPROPYLTHYMINE
PDBeChem
Manual Xref
Database
HPT
PDBeChem
View more database links
Registry Number
Type
Source
6803473
Reaxys Registry Number
Reaxys
Last Modified
02 August 2011