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CHEBI:90898 - protoviolaceinate
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ChEBI Name
protoviolaceinate
ChEBI ID
CHEBI:90898
Definition
A monocarboxylic acid anion that is the conjugate base of protoviolaceinic acid, resulting from the removal of the proton from the carboxy group. Major structure at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Anne Morgat
Supplier Information
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Molfile
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Molfile
Formula
C21H14N3O3
Net Charge
-1
Average Mass
356.355
Monoisotopic Mass
356.10406
InChI
InChI=1S/C21H15N3O3/c25-
11-
5-
6-
18-
13(7-
11)
16(10-
23-
18)
19-
8-
14(20(24-
19)
21(26)
27)
15-
9-
22-
17-
4-
2-
1-
3-
12(15)
17/h1-
10,22-
25H,(H,26,27)
/p-
1
InChIKey
HNIIMOJBRIPGHJ-UHFFFAOYSA-M
SMILES
N1C(=CC(=C1C(=O)[O-])C2=CNC3=C2C=CC=C3)C4=CNC5=C4C=C(C=C5)O
ChEBI Ontology
Outgoing
protoviolaceinate (
CHEBI:90898
)
is a
monocarboxylic acid anion (
CHEBI:35757
)
protoviolaceinate (
CHEBI:90898
)
is conjugate base of
protoviolaceinic acid (
CHEBI:90897
)
Incoming
protoviolaceinic acid (
CHEBI:90897
)
is conjugate acid of
protoviolaceinate (
CHEBI:90898
)
IUPAC Name
5-(5-hydroxy-1
H
-indol-3-yl)-3-(1
H
-indol-3-yl)-1
H
-pyrrole-2-carboxylate
Synonym
Source
protoviolaceinate
UniProt
Manual Xref
Database
CPD-14319
MetaCyc
View more database links
Citations
Types
Sources
17925955
PubMed citation
Europe PMC
21779844
PubMed citation
Europe PMC
Last Modified
03 March 2016