L-Aspartic acid sodium salt monohydrate

cas:323194-76-9 chemically defined MAPPED CHEBI CLOSE_MATCH

Ontology mapping

Primary identifier
cas:323194-76-9
Ontology term
CHEBI:17053 — L-aspartic acid
Ontology label
L-aspartic acid

Nutritional roles

Rejected enrichment labels (2)

Provenance-only candidates: these are not synonyms and do not resolve to this record.

Rejected labelDispositionSourceOccurrences
(2S)-2-aminobutanedioic acid REJECTED_LABEL chebi_synonym_review
ASPARTIC ACID REJECTED_LABEL chebi_synonym_review

Chemical properties

Cas rn
323194-76-9
Data source
CultureBotHT compounds_to_cas.csv
Retrieval date
2026-04-29T06:51:33.117170+00:00
Molecular formula
C4H8NNaO5
Smiles
C(C(C(=O)[O-])N)C(=O)O.O.[Na+]
Inchi
InChI=1S/C4H7NO4.Na.H2O/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);;1H2/q;+1;/p-1/t2-;;/m0../s1
Pubchem cid
23679051

Evidence (3)

DATABASE_MATCH via CultureBotHT

Imported from CultureBotHT. CAS-RN 323194-76-9 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 OLS (stem-substring)

Parent class identified via stem-substring; matched_via='L-Aspartic acid sodium salt monohydrate'

DATABASE_MATCH via MIM curation (#342)

mapping_quality NARROW_MATCH -> CLOSE_MATCH, predicate skos:narrowMatch -> skos:closeMatch. narrowMatch asserts this record is *narrower in meaning* than CHEBI:17053 ('L-aspartic acid') — a subsumption ChEBI itself denies: it files hydrates under CHEBI:35505 'hydrate', never under the anhydrous compound, which is not an ancestor even transitively. A hydrate is a distinct substance containing the anhydrous form, not a specialization of it. closeMatch claims similarity without subsumption. The ontology_id and the record's own identifier are unchanged.

Occurrence statistics

Total occurrences
2
Distinct media
2

Curation history

TimestampCuratorActionNew statusChanges
2026-04-29T06:51:33.117170+00:00 audit_add_remaining_culturebotht CREATED_FROM_CAS_FALLBACK MAPPED Created with cas:323194-76-9 as primary identifier; no CHEBI entry exists for this compound.
2026-05-01T07:35:34.249831+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical))
2026-05-02T02:53:39.527504+00:00 auto_classify_ingredient_type AUTO_BACKFILL_PUBCHEM_CHEMISTRY molecular_formula=C4H8NNaO5; smiles=C(C(C(=O)[O-])N)C(=O)O.O.[Na+]; inchi=InChI=1S/C4H7NO4.Na.H2O/c5-2(4(8)9)1-3(6)7;;/h2H,1
2026-05-02T03:12:15.369924+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-05-02T04:50:42.821029+00:00 backfill_parent_terms BACKFILL_PARENT_CHEBI set ontology_mapping parent=CHEBI:17053 (stem-substring)
2026-06-03T02:06:01.743068+00:00 infer_roles_from_name_lists ANNOTATED Added media role: AMINO_ACID_SOURCE (confidence: 0.80)
2026-07-20T00:00:00+00:00 migrate_media_roles_to_facets ANNOTATED Migrated legacy media_roles to role facets (#128): AMINO_ACID_SOURCE -> nutritional_roles.AMINO_ACID_SOURCE
2026-08-13T00:00:00+00:00 regrade_hydrate_to_close_match REGRADED_HYDRATE_TO_CLOSE_MATCH mapping_quality NARROW_MATCH -> CLOSE_MATCH (#342); a hydrate is not subsumed by its anhydrous form, and ChEBI does not model it as such.
2026-08-27T03:16:39.519098+00:00 refresh_occurrence_statistics CORRECTED occurrence_statistics 0/0 -> 2/2 (media_count/total_occurrences), derived from distinct CultureMech recipe ids in the #337 occurrence table. The prior values came from the importer retired in #453, whose media_count counted a list truncated to 50 examples (#449). [source=ingredient_occurrences.tsv culturemech_rev=15a4da5c08 rows=194137 distinct_recipes=15257]
2026-09-22T20:41:14.285965+00:00 claude LLM REJECTED_PARENT_NAME_SYNONYMS Retyped names of the parent compound or of a different hydrate as provenance-only REJECTED_LABEL, because this record is a distinct salt, hydrate or tombstone form and the label index resolved the parent's name here (#232): '(2S)-2-aminobutanedioic acid'; 'ASPARTIC ACID'. Preserved original text and source metadata. No identity, mapping, role, or remaining-synonym claim was adjudicated.