MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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pyrrole-3-carboxylic acid
Properties
Image
MNX_ID
MNXM108380
reference
chebi:68076
formula
C
5
H
5
NO
2
global charge
0
mol weight
111.1
InChIKey
DOYOPBSXEIZLRE-UHFFFAOYSA-N
InChI
InChI=1S/C5H5NO2/c7-5(8)4-1-2-6-3-4/h1-3,6H,(H,7,8)
SMILES
O=C(O)C1=CNC=C1
MNX internals
InChI (mnx)
InChI=1/C5H5NO2/c7-5(8)4-1-2-6-3-4/h1-3,6H,(H,7,8)
SMILES (mnx)
[CH:1]1=[CH:2][NH:6][CH:3]=[C:4]1[C:5](=[O:7])[OH:8]
Parent-child relations graph
Occurences in reactions
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
Similar chemical compounds in external resources
Identifier
Description
CHEBI:68076
chebi:68076
DOYOPBSXEIZLRE-UHFFFAOYSA-N
pyrrole-3-carboxylic acid
1H-pyrrole-3-carboxylic acid