protoviolaceinic acid (CHEBI:90897)

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ChEBI Name	protoviolaceinic acid

ChEBI ID	CHEBI:90897

Definition	A pyrrolecarboxylic acid that is pyrrole-2-carboxylic acid which is substituted at position 3 by a 1H-indol-3-yl group at at position 5 by a 5-hydroxy-1H-indol-3-yl group.

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

C21H15N3O3

Net Charge

Average Mass

357.363

Monoisotopic Mass

357.11134

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)

InChIKey

HNIIMOJBRIPGHJ-UHFFFAOYSA-N

SMILES

N1C(=CC(=C1C(=O)O)C2=CNC3=C2C=CC=C3)C4=CNC5=C4C=C(C=C5)O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	protoviolaceinic acid (CHEBI:90897) is a hydroxyindoles (CHEBI:84729) protoviolaceinic acid (CHEBI:90897) is a monocarboxylic acid (CHEBI:25384) protoviolaceinic acid (CHEBI:90897) is a pyrrolecarboxylic acid (CHEBI:26454) protoviolaceinic acid (CHEBI:90897) is conjugate acid of protoviolaceinate (CHEBI:90898)

Incoming	protoviolaceinate (CHEBI:90898) is conjugate base of protoviolaceinic acid (CHEBI:90897)

IUPAC Name

5-(5-hydroxy-1H-indol-3-yl)-3-(1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid

Registry Number	Type	Source
11281439	Reaxys Registry Number	Reaxys

Last Modified

12 July 2016