Pyocyanin

CHEBI:8653 chemically defined MAPPED CHEBI CAS_RN_LOOKUP

Ontology mapping

Primary identifier
CHEBI:8653
Ontology label
pyocyanine

Synonyms (1)

SynonymTypeSourceOccurrences
5-methylphenazin-5-ium-1-olate EXACT_SYNONYM chebi_synonym_review

Chemical properties

Cas rn
85-66-5
Data source
CultureBotHT compounds_to_cas.csv
Retrieval date
2026-04-29T06:34:31.158938+00:00
Molecular formula
C13H10N2O
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
Smiles
C[n+]1c2ccccc2nc2c([O-])cccc21

Evidence (1)

DATABASE_MATCH via CultureBotHT

Imported from CultureBotHT. CAS-RN→CHEBI mapping resolved via OAK CHEBI sqlite (cas xref).

Occurrence statistics

Total occurrences
0
Distinct media
0

Curation history

TimestampCuratorActionNew statusChanges
2026-04-29T06:34:31.158938+00:00 audit_cas_chebi_followup CREATED_FROM_CAS_LOOKUP MAPPED Created from CultureBotHT CAS-RN=85-66-5; CHEBI resolved via OAK CHEBI sqlite (cas xref); Imported from CultureBotHT. CAS-RN→CHEBI mapping resolved via OAK CHEBI sqlite (cas xref).
2026-05-01T07:35:35.950343+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (CHEBI primary)
2026-05-01T08:08:32.040463+00:00 auto_classify_ingredient_type AUTO_BACKFILL_CHEBI_CHEMISTRY molecular_formula=C13H10N2O; inchi=InChI=1S/C13H10N2O/c1-15-10-6-3-2-5-9(10)14-13-11(; smiles=C[n+]1c2ccccc2nc2c([O-])cccc21
2026-05-02T03:12:17.964004+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-08-10T00:00:00+00:00 regrade_synonym_matches REGRADED_EXACT_TO_SYNONYM mapping_quality EXACT_MATCH -> SYNONYM_MATCH (#317). The record's label does not equal the term's primary label 'pyocyanine'; it matches the ChEBI synonym 'pyocyanin' on CHEBI:8653. The schema defines EXACT_MATCH as a direct match to the term and SYNONYM_MATCH as a match to a known synonym, so the recorded grade overstated. ontology_id is unchanged — the term is correct. The SSSOM predicate is unaffected (both grades emit skos:exactMatch).
2026-08-24T00:00:00+00:00 regrade_synonym_matches REGRADED_TO_CAS_RN_LOOKUP mapping_quality SYNONYM_MATCH -> CAS_RN_LOOKUP (#317). The record was created by an explicit CAS-to-ChEBI lookup and its current CAS RN 85-66-5 uniquely resolves by ChEBI xref to CHEBI:8653 'pyocyanine'. CAS_RN_LOOKUP records the method that established this mapping; a lexical grade would discard that provenance. ontology_id is unchanged. The own-identifier SSSOM predicate remains skos:exactMatch under Rule D (#438), independently of mapping quality.