L-Meta-tyrosine

cas:587-33-7 chemically defined MAPPED CHEBI SYNONYM_MATCH

Ontology mapping

Primary identifier
cas:587-33-7
Ontology term
CHEBI:44303 — L-m-tyrosine
Ontology label
L-m-tyrosine

Synonyms (2)

SynonymTypeSourceOccurrences
(2S)-2-amino-3-(3-hydroxyphenyl)propanoic acid EXACT_SYNONYM chebi_synonym_review
3-hydroxy-L-phenylalanine EXACT_SYNONYM chebi_synonym_review

Chemical properties

Cas rn
587-33-7
Data source
CultureBotHT compounds_to_cas.csv
Retrieval date
2026-04-29T06:51:33.117170+00:00
Molecular formula
C9H11NO3
Smiles
C1=CC(=CC(=C1)O)CC(C(=O)O)N
Inchi
InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
Pubchem cid
6950578

Evidence (3)

DATABASE_MATCH via CultureBotHT

Imported from CultureBotHT. CAS-RN 587-33-7 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 6950578'

DATABASE_MATCH via MIM curation (#326)

mapping_quality NARROW_MATCH -> SYNONYM_MATCH. The recorded molecular_formula is identical to CHEBI:44303'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 (JZKXXXDKRQWDET-QMMMGPOBSA-N): 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

TimestampCuratorActionNew statusChanges
2026-04-29T06:51:33.117170+00:00 audit_add_remaining_culturebotht CREATED_FROM_CAS_FALLBACK MAPPED Created with cas:587-33-7 as primary identifier; no CHEBI entry exists for this compound.
2026-05-01T07:35:34.271158+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical))
2026-05-02T02:53:45.582420+00:00 auto_classify_ingredient_type AUTO_BACKFILL_PUBCHEM_CHEMISTRY molecular_formula=C9H11NO3; smiles=C1=CC(=CC(=C1)O)CC(C(=O)O)N; inchi=InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6
2026-05-02T03:12:15.409452+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-05-02T04:51:00.799837+00:00 backfill_parent_terms BACKFILL_PARENT_CHEBI set ontology_mapping parent=CHEBI:44303 (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.