Ontology mapping
- Primary identifier
-
cas:41312-47-4 - Ontology term
-
CHEBI:90065— 3-fucosyllactose - Ontology label
- 3-fucosyllactose
Nutritional roles
- Role
- CARBON_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.
Synonyms (2)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| 6-deoxy-alpha-L-galactopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)]-D-glucopyranose | EXACT_SYNONYM | chebi_synonym_review | |
| Fuc(a1-3)[Gal(b1-4)]Glc | EXACT_SYNONYM | chebi_synonym_review |
Chemical properties
- Cas rn
- 41312-47-4
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:51:33.117170+00:00
- Molecular formula
- C18H32O15
- Smiles
- CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)CO)O)O)O)O)O
- Inchi
- InChI=1S/C18H32O15/c1-4-7(21)9(23)11(25)17(29-4)33-15-13(27)16(28)30-6(3-20)14(15)32-18-12(26)10(24)8(22)5(2-19)31-18/h4-28H,2-3H2,1H3/t4-,5+,6+,7+,8-,9+,10-,11-,12+,13+,14+,15+,16?,17-,18-/m0/s1
- Pubchem cid
- 16216990
Evidence (3)
Imported from CultureBotHT. CAS-RN 41312-47-4 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.
Parent class identified via pubchem-xref; matched_via='pubchem CID 16216990'
mapping_quality NARROW_MATCH -> EXACT_MATCH. The recorded molecular_formula is identical to CHEBI:90065'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 (WJPIUUDKRHCAEL-YVEAQFMBSA-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
| 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:41312-47-4 as primary identifier; no CHEBI entry exists for this compound. |
| 2026-05-01T07:35:31.839994+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical)) | |
| 2026-05-02T02:51:19.036948+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_PUBCHEM_CHEMISTRY | molecular_formula=C18H32O15; smiles=CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)C; inchi=InChI=1S/C18H32O15/c1-4-7(21)9(23)11(25)17(29-4)33 | |
| 2026-05-02T03:12:11.999646+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-05-02T04:37:52.399379+00:00 | backfill_parent_terms | BACKFILL_PARENT_CHEBI | set ontology_mapping parent=CHEBI:90065 (pubchem-xref) | |
| 2026-06-03T02:06:01.732339+00:00 | infer_roles_from_name_lists | ANNOTATED | Added media role: CARBON_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): CARBON_SOURCE -> nutritional_roles.CARBON_SOURCE | |
| 2026-08-13T00:00:00+00:00 | regrade_identical_formula_parents | REGRADED_PARENT_TO_IDENTITY | mapping_quality NARROW_MATCH -> EXACT_MATCH (#326); the narrowMatch parent is the same substance, confirmed by InChIKey via the record's own CAS. |