Adenine hydrochloride hydrate

Ontology mapping

Primary identifier: cas:2922-28-3
Ontology term: CHEBI:16708 — adenine
Ontology label: adenine

Chemical properties

Cas rn: 2922-28-3
Data source: CultureBotHT compounds_to_cas.csv
Retrieval date: 2026-04-29T06:51:33.117170+00:00
Molecular formula: C5H6ClN5
Smiles: C1=NC2=NC=NC(=C2N1)N.Cl
Inchi: InChI=1S/C5H5N5.ClH/c6-4-3-5(9-1-7-3)10-2-8-4;/h1-2H,(H3,6,7,8,9,10);1H
Pubchem cid: 76219

Evidence (3)

DATABASE_MATCH via CultureBotHT

Imported from CultureBotHT. CAS-RN 2922-28-3 present, but no CHEBI entry exists (checked OAK CHEBI sqlite + PubChem CID synonyms). FEBA/Hans80 panels: FEBA_carbon, FEBA_nitrogen. Used in 31 CultureBot media; samples: ZMB ALS GHP, ZMB ALS GLCMD, NLDM_defined_no_iron…. Curator can promote to a CHEBI primary if/when CHEBI adds the term.

DATABASE_MATCH via anchor_cas_hydrate_records

Adenine hydrochloride hydrate is a hydrate/salt with its own CAS and no exact ChEBI term; anchored to the parent CHEBI:16708 'adenine' by narrowMatch per MAPPING_SEMANTICS.md Section 3 step 2. hydrochloride hydrate of adenine

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:16708 ('adenine') — 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: 22
Distinct media: 22

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:2922-28-3 as primary identifier; no CHEBI entry exists for this compound.
2026-05-01T07:35:32.058224+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical))
2026-05-02T02:51:43.214915+00:00	auto_classify_ingredient_type	AUTO_BACKFILL_PUBCHEM_CHEMISTRY		molecular_formula=C5H6ClN5; smiles=C1=NC2=NC=NC(=C2N1)N.Cl; inchi=InChI=1S/C5H5N5.ClH/c6-4-3-5(9-1-7-3)10-2-8-4;/h1-
2026-05-02T03:12:12.309402+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-08-05T18:02:35.008352+00:00	anchor_cas_hydrate_records LLM	CORRECTED		Added Section 3 anchor rows: narrowMatch CHEBI:16708 'adenine' and registry kgmicrobe.compound:adenine_hydrochloride_hydrate. identifier cas:2922-28-3 unchanged; mapping_quality FALLBACK_REGISTRY -> NARROW_MATCH. hydrochloride hydrate of adenine
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.
2026-08-27T03:16:39.518305+00:00	refresh_occurrence_statistics	CORRECTED		occurrence_statistics 31/31 -> 22/22 (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]