Chemical substance record

Pyocyanine

85-66-5C₁₃H₁₀N₂O210.236 g/mol

Organic/Inorganic Small MoleculeChEBI source record

An iminium betaine that is 5-methylphenazin-5-ium which is substituted at position 1 by an oxidanidyl group. An antibiotic pigment produced by Pseudomonas aeruginosa. — ChEBI

Safety references

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Identity & molecular properties

Source-linked values

CAS number	85-66-5	ChEBI ↗
Molecular formula	C₁₃H₁₀N₂O	ChEBI ↗
Molar mass	210.236 g/mol	ChEBI ↗
Monoisotopic mass	210.07931 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:8653	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	210.23 g/mol	PubChem ↗
Exact mass	210.079312947 Da	PubChem ↗
Computed XLogP	2	PubChem ↗
Topological polar surface area (Å²)	32.7	PubChem ↗
H-bond donors	0	PubChem ↗
H-bond acceptors	3	PubChem ↗
Rotatable bonds	0	PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

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Source preferred name

pyocyanine

IUPAC name

5-methylphenazin-5-ium-1-olate

InChIKey

YNCMLFHHXWETLD-UHFFFAOYSA-N

SMILES

C[n+]1c2ccccc2nc2c([O-])cccc21

InChI

InChI=1S/C13H10N2O/c1-15-10-6-3-2-5-9(10)14-13-11(15)7-4-8-12(13)16/h2-8H,1H3

Names & synonyms

5-methylphenazin-5-ium-1-olate

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

iminium betaineChEBI parent class · 35285 ↗phenazinesChEBI parent class · 39201 ↗

organic heterocyclic compound organic molecular entity

Roles recorded in ChEBI

biological pigmentantibacterial agentvirulence factorbacterial metabolite

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.00475656 mol

Uses 210.236 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

C

Carbon · 13 atoms

74.27%

N

Nitrogen · 2 atoms

13.33%

O

Oxygen · 1 atom

7.61%

H

Hydrogen · 10 atoms

4.79%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

The bacterial redox signaller pyocyanin as an antiplasmodial agent: comparisons with its thioanalog methylene blue. ↗Redox report : communications in free radical research · 2011 · PMID 21888766

The guanidinobutyrase GbuA is essential for the alkylquinolone-regulated pyocyanin production during parasitic growth of Pseudomonas aeruginosa in co-culture with Aeromonas hydrophila. ↗Environmental microbiology · 2016 Oct · PMID 27322205

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:8653

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

Additional molecular descriptorsNCBI PubChem · CID 6817 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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