Parachlorophenylalanine

Ontology mapping

Primary identifier: cas:7424-00-2
Ontology term: CHEBI:110187 — 2-amino-3-(4-chlorophenyl)propanoic acid
Ontology label: 2-amino-3-(4-chlorophenyl)propanoic acid

Chemical properties

Cas rn: 7424-00-2
Data source: CultureBotHT compounds_to_cas.csv
Retrieval date: 2026-04-29T06:51:33.117170+00:00
Molecular formula: C9H10ClNO2
Smiles: C1=CC(=CC=C1CC(C(=O)O)N)Cl
Inchi: InChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)
Pubchem cid: 4652

Evidence (3)

DATABASE_MATCH via CultureBotHT

Imported from CultureBotHT. CAS-RN 7424-00-2 present, but no CHEBI entry exists (checked OAK CHEBI sqlite + PubChem CID synonyms). Curator can promote to a CHEBI primary if/when CHEBI adds the term.

DATABASE_MATCH via CHEBI via PubChem (pubchem-xref)

Parent class identified via pubchem-xref; matched_via='pubchem CID 4652'

DATABASE_MATCH via MIM curation (#326)

mapping_quality NARROW_MATCH -> SYNONYM_MATCH. The recorded molecular_formula is identical to CHEBI:110187's, and a 'parent' with an identical formula is not a parent — BACKFILL_PARENT_CHEBI found the term via a PubChem xref and filed it as one. Identity confirmed by InChIKey: the record's own cas_rn, written from CultureBotHT compounds_to_cas.csv at creation and so independent of this mapping, resolves in PubChem to the same key ChEBI records for the term. ontology_id is unchanged.

Occurrence statistics

Total occurrences: 0
Distinct media: 0

Curation history

Timestamp	Curator	Action	New status	Changes
2026-04-29T06:51:33.117170+00:00	audit_add_remaining_culturebotht	CREATED_FROM_CAS_FALLBACK	MAPPED	Created with cas:7424-00-2 as primary identifier; no CHEBI entry exists for this compound.
2026-05-01T07:35:35.708893+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical))
2026-05-02T02:54:23.587530+00:00	auto_classify_ingredient_type	AUTO_BACKFILL_PUBCHEM_CHEMISTRY		molecular_formula=C9H10ClNO2; smiles=C1=CC(=CC=C1CC(C(=O)O)N)Cl; inchi=InChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)
2026-05-02T03:12:17.645268+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-05-02T04:54:55.950373+00:00	backfill_parent_terms	BACKFILL_PARENT_CHEBI		set ontology_mapping parent=CHEBI:110187 (pubchem-xref)
2026-08-13T00:00:00+00:00	regrade_identical_formula_parents	REGRADED_PARENT_TO_IDENTITY		mapping_quality NARROW_MATCH -> SYNONYM_MATCH (#326); the narrowMatch parent is the same substance, confirmed by InChIKey via the record's own CAS.