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:59980 - 1-propyl-2-hydroxyacetylpyrrole
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
1-propyl-2-hydroxyacetylpyrrole
ChEBI ID
CHEBI:59980
Definition
A pyrrole carrying propyl and hydroxyacetyl groups at the 1- and 2-positions respectively.
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
C9H13NO2
Net Charge
0
Average Mass
167.20500
Monoisotopic Mass
167.09463
InChI
InChI=1S/C9H13NO2/c1-2-5-10-6-3-4-8(10)9(12)7-11/h3-4,6,11H,2,5,7H2,1H3
InChIKey
NSQXHPJXBVVTFZ-UHFFFAOYSA-N
SMILES
CCCn1cccc1C(=O)CO
ChEBI Ontology
Outgoing
1-propyl-2-hydroxyacetylpyrrole (
CHEBI:59980
)
is a
primary α-hydroxy ketone (
CHEBI:139590
)
1-propyl-2-hydroxyacetylpyrrole (
CHEBI:59980
)
is a
pyrroles (
CHEBI:26455
)
IUPAC Name
2-hydroxy-1-(1-propyl-1
H
-pyrrol-2-yl)ethanone
Synonym
Source
propyl hydroxyacetyl pyrrole
ChEBI
Citation
Type
Source
2917974
PubMed citation
Europe PMC
Last Modified
06 February 2018