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:41149 - 4-methyl-2-pyrroline-5-carboxylic acid
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
4-methyl-2-pyrroline-5-carboxylic acid
ChEBI ID
CHEBI:41149
Definition
A pyrroline consisting of 2-pyrroline having methyl and carboxy substituents at positions 4 and 5 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
more structures >>
Molfile
expand
Formula
C6H9NO2
Net Charge
0
Average Mass
127.14120
Monoisotopic Mass
127.06333
InChI
InChI=1S/C6H9NO2/c1-4-2-3-7-5(4)6(8)9/h2-5,7H,1H3,(H,8,9)/t4-,5-/m1/s1
InChIKey
ZVJPMCWYCLEWPG-RFZPGFLSSA-N
SMILES
C[C@@H]1C=CN[C@H]1C(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
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
4-methyl-2-pyrroline-5-carboxylic acid (
CHEBI:41149
)
is a
monocarboxylic acid (
CHEBI:25384
)
4-methyl-2-pyrroline-5-carboxylic acid (
CHEBI:41149
)
is a
pyrroline (
CHEBI:23763
)
Incoming
4-methyl-2-pyrroline-5-carboxylic acid residue (
CHEBI:61979
)
is substituent group from
4-methyl-2-pyrroline-5-carboxylic acid (
CHEBI:41149
)
IUPAC Name
(2
R
,3
R
)-3-methyl-2,3-dihydro-1
H
-pyrrole-2-carboxylic acid
Manual Xref
Database
BGX
PDBeChem
View more database links
Last Modified
27 April 2011