Pachydermin (CHEBI:202254)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Pachydermin

ChEBI ID	CHEBI:202254

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H8ClNO6

Net Charge

Average Mass

309.660

Monoisotopic Mass

309.00401

InChI

InChI=1S/C13H8ClNO6/c14-6-3-5(1-2-8(6)16)4-7-10(17)9(12(19)15-7)11(18)13(20)21/h1-4,16-17H,(H,15,19)(H,20,21)/b7-4-

InChIKey

XYHLQFZGLAWUCL-DAXSKMNVSA-N

SMILES

ClC1=C(O)C=CC(=C1)/C=C/2\NC(=O)C(=C2O)C(=O)C(=O)O

Metabolite of Species	Details
Rossbeevera pachydermis (NCBI:txid1325520)	See: PubMed

ChEBI Ontology
Outgoing	Pachydermin (CHEBI:202254) is a monochlorophenol (CHEBI:38857)

IUPAC Name

2-[(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxopyrrol-3-yl]-2-oxoacetic acid