Ontology mapping
- Primary identifier
-
cas:123333-71-1 - Ontology term
-
NCIT:C87334— Histidine Monohydrochloride Monohydrate - Ontology label
- Histidine Monohydrochloride Monohydrate
Nutritional roles
- Role
- AMINO_ACID_SOURCE
- Confidence
- 0.8
- Evidence
- Reference type
- COMPUTATIONAL_PREDICTION
- Reference text
- Inferred from curated media-role name pattern
- Curator note
- Provisional role from a curated name-pattern rule; review recommended.
Chemical properties
- Cas rn
- 123333-71-1
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:51:33.117170+00:00
- Molecular formula
- C6H12ClN3O3
- Smiles
- C1=C(NC=N1)CC(C(=O)O)N.O.Cl
- Inchi
- InChI=1S/C6H9N3O2.ClH.H2O/c7-5(6(10)11)1-4-2-8-3-9-4;;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1H;1H2
- Pubchem cid
- 517335
Evidence (2)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT. CAS-RN 123333-71-1 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 NCIT via OLS (stem-substring)
Parent class identified via stem-substring; matched_via='DL-Histidine monohydrochloride monohydrate'
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:123333-71-1 as primary identifier; no CHEBI entry exists for this compound. |
| 2026-05-01T07:35:33.186757+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical)) | |
| 2026-05-02T02:52:50.162098+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_PUBCHEM_CHEMISTRY | molecular_formula=C6H12ClN3O3; smiles=C1=C(NC=N1)CC(C(=O)O)N.O.Cl; inchi=InChI=1S/C6H9N3O2.ClH.H2O/c7-5(6(10)11)1-4-2-8-3-9 | |
| 2026-05-02T03:12:13.911950+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-05-02T04:45:52.345233+00:00 | backfill_parent_terms | BACKFILL_PARENT_NCIT | set ontology_mapping parent=NCIT:C87334 (stem-substring) | |
| 2026-06-03T02:06:01.738974+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 |