protodeoxyviolaceinic acid (CHEBI:90906)

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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 XML SDF

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Formula

C21H15N3O2

Net Charge

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 (Bronsted base). (via oxoacid )

Biological Role(s):	bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria.

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(1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid

Registry Number	Type	Source
11281440	Reaxys Registry Number	Reaxys

Last Modified

12 July 2016