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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:36751 - pyrrole-2-carboxylic acid
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ChEBI Name
pyrrole-2-carboxylic acid
ChEBI ID
CHEBI:36751
Definition
A pyrrolecarboxylic acid that is 1
H
-pyrrole carrying a carboxy substituent at position 2.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:8684, CHEBI:26453
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Formula
C5H5NO2
Net Charge
0
Average Mass
111.09874
Monoisotopic Mass
111.03203
InChI
InChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8)
InChIKey
WRHZVMBBRYBTKZ-UHFFFAOYSA-N
SMILES
OC(=O)c1ccc[nH]1
Metabolite of Species
Details
Brachystemma calycinum
(IPNI:151926-1)
Found in aerial part
(BTO:0001658)
. 95% aqueous ethanolic extract of sun-dreid and powdered aerial parts See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
pyrrole-2-carboxylic acid (
CHEBI:36751
)
has role
plant metabolite (
CHEBI:76924
)
pyrrole-2-carboxylic acid (
CHEBI:36751
)
is a
pyrrolecarboxylic acid (
CHEBI:26454
)
pyrrole-2-carboxylic acid (
CHEBI:36751
)
is conjugate acid of
pyrrole-2-carboxylate (
CHEBI:27660
)
Incoming
pyrrole-2-carboxylate (
CHEBI:27660
)
is conjugate base of
pyrrole-2-carboxylic acid (
CHEBI:36751
)
IUPAC Name
1
H
-pyrrole-2-carboxylic acid
Synonyms
Sources
2-pyrrolecarboxylic acid
ChemIDplus
Minaline
ChemIDplus
PCA
NIST Chemistry WebBook
Pyrrole-2-carboxylate
KEGG COMPOUND
pyrrole-2-carboxylic acid
NIST Chemistry WebBook
Manual Xrefs
Databases
C05942
KEGG COMPOUND
DB02543
DrugBank
PYC
PDBeChem
View more database links
Registry Numbers
Types
Sources
101562
Gmelin Registry Number
Gmelin
634-97-9
CAS Registry Number
ChemIDplus
634-97-9
CAS Registry Number
NIST Chemistry WebBook
80825
Beilstein Registry Number
Beilstein
Citation
Type
Source
21634415
PubMed citation
Europe PMC
Last Modified
23 October 2015