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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:90906 - protodeoxyviolaceinic acid
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ChEBI Ontology
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ChEBI Name
protodeoxyviolaceinic acid
ChEBI ID
CHEBI:90906
Definition
A pyrrolecarboxylic acid that is pyrrole-2-carboxylic acid which is substituted at position 3 and 5 by indol-3-yl groups.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Anne Morgat
Supplier Information
Download
Molfile
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Molfile
Formula
C21H15N3O2
Net Charge
0
Average Mass
341.363
Monoisotopic Mass
341.11643
InChI
InChI=1S/C21H15N3O2/c25-
21(26)
20-
14(15-
10-
22-
17-
7-
3-
1-
5-
12(15)
17)
9-
19(24-
20)
16-
11-
23-
18-
8-
4-
2-
6-
13(16)
18/h1-
11,22-
24H,(H,25,26)
InChIKey
SFLGFRJGKHRRID-UHFFFAOYSA-N
SMILES
N1C(=CC(=C1C(=O)O)C2=CNC3=C2C=CC=C3)C4=CNC5=C4C=CC=C5
Metabolite of Species
Details
Chromobacterium violaceum
(NCBI:txid536)
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):
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
protodeoxyviolaceinic acid (
CHEBI:90906
)
has role
bacterial metabolite (
CHEBI:76969
)
protodeoxyviolaceinic acid (
CHEBI:90906
)
is a
indoles (
CHEBI:24828
)
protodeoxyviolaceinic acid (
CHEBI:90906
)
is a
monocarboxylic acid (
CHEBI:25384
)
protodeoxyviolaceinic acid (
CHEBI:90906
)
is a
pyrrolecarboxylic acid (
CHEBI:26454
)
protodeoxyviolaceinic acid (
CHEBI:90906
)
is conjugate acid of
protodeoxyviolaceinate (
CHEBI:90907
)
Incoming
protodeoxyviolaceinate (
CHEBI:90907
)
is conjugate base of
protodeoxyviolaceinic acid (
CHEBI:90906
)
IUPAC Name
3,5-di(1
H
-indol-3-yl)-1
H
-pyrrole-2-carboxylic acid
Manual Xref
Database
CPD-14320
MetaCyc
View more database links
Registry Number
Type
Source
11281440
Reaxys Registry Number
Reaxys
Citations
Types
Sources
18171677
PubMed citation
Europe PMC
21779844
PubMed citation
Europe PMC
Last Modified
12 July 2016