Ontology mapping
- Primary identifier
-
cas:150-90-3 - Ontology term
-
CHEBI:63675— sodium succinate (anhydrous) - Ontology label
- sodium succinate (anhydrous)
Nutritional roles
- Role
- CARBON_SOURCE
- Confidence
- 0.7
- Evidence
- Reference type
- COMPUTATIONAL_PREDICTION
- Reference text
- Inferred from CHEBI ancestry: subclass/has_role of CHEBI:16646 (carbohydrate)
- Curator note
- Provisional role inferred from CHEBI is_a/has_role closure; review recommended.
- Role
- ENERGY_SOURCE
- Confidence
- 0.7
- Evidence
- Reference type
- COMPUTATIONAL_PREDICTION
- Reference text
- Canonical energy substrate (catabolised for energy)
- Curator note
- Provisional ENERGY_SOURCE added alongside CARBON_SOURCE; review recommended.
Rejected enrichment labels (3)
Provenance-only candidates: these are not synonyms and do not resolve to this record.
| Rejected label | Disposition | Source | Occurrences |
|---|---|---|---|
| (2S,3S,4R,5S,6S)-2-[(3R,4R,5S,6R)-2,3-Dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol | REJECTED_LABEL | kg_microbe | |
| 6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[alpha-D-gluco-hexopyranosyl-(1->4)]-D-galacto-hexopyranose | REJECTED_LABEL | kg_microbe | |
| Fuc(a1-3)[Glc(a1-4)]Gal | REJECTED_LABEL | kg_microbe |
Chemical properties
- Cas rn
- 150-90-3
- Data source
- PubChem API
- Retrieval date
- 2026-04-05T19:53:55.242699+00:00
Evidence (4)
DATABASE_MATCH
via CultureMech
Imported from CultureMech pipeline, quality=DIRECT_MATCH
MANUAL_CURATION
via MIM curation (#263)
Re-grounded from CHEBI:150903 (an unrelated trisaccharide glycoside) (#263). Disodium succinate has no CHEBI entry (checked OAK CHEBI sqlite), so the record takes its CAS-RN as identifier with a narrowMatch to the parent acid, following the established cas: pattern (MAPPING_SEMANTICS.md Section 3). CAS-RN 150-90-3 was already correct.
DATABASE_MATCH
via reground_263
Sodium succinate dibasic is a hydrate/salt with its own CAS and no exact ChEBI term; anchored to the parent CHEBI:15741 'succinic acid' by narrowMatch per MAPPING_SEMANTICS.md Section 3 step 2. Disodium succinate has no CHEBI entry; nearest parent is the free acid. Re-grounded from CHEBI:150903 (an unrelated glycoside) in #263.
DATABASE_MATCH
via MIM curation (#320)
narrowMatch parent CHEBI:15741 ('succinic acid') -> CHEBI:63675 ('sodium succinate (anhydrous)'). The record is the disodium salt ('dibasic') but was parented to the free acid, so the counterion was discarded. Its own cas_rn 150-90-3 — independent of the ChEBI mapping under test — is registered by ChEBI against CHEBI:63675, whose formula C4H4O4.2Na is the dibasic salt the label names. The record stays cas-primary per MAPPING_SEMANTICS §3 step 2; only the parent moves.
Occurrence statistics
- Total occurrences
- 6
- Distinct media
- 6
Curation history
| Timestamp | Curator | Action | New status | Changes |
|---|---|---|---|---|
| 2026-03-09T06:54:18.022301+00:00 | import_from_culturemech | IMPORTED | MAPPED | Initial import from CultureMech pipeline |
| 2026-04-05T19:53:55.242742+00:00 | fetch_cas_rn_from_pubchem | ADDED_CAS_RN | MAPPED | Added CAS-RN:150-90-3 from PubChem API via name lookup (Sodium succinate dibasic) |
| 2026-04-18T00:00:00+00:00 | cbclaw_kg_microbe_sweep LLM | ADDED_SYNONYMS | MAPPED | Added 3 synonyms from kg-microbe P4.4 enrichment: (2S,3S,4R,5S,6S)-2-[(3R,4R,5S,6R)-2,3-Dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol, 6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[alpha-D-gluco-hexopyranosyl-(1->4)]-D-galacto-hexopyranose, Fuc(a1-3)[Glc(a1-4)]Gal |
| 2026-05-01T07:35:36.359234+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:32.452796+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C18H32O15; inchi=InChI=1S/C18H32O15/c1-4-7(21)9(23)11(25)17(29-4)33; smiles=C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H]3O[C@H](CO)[C@ | |
| 2026-05-02T03:12:18.516377+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-05-30T00:34:39.676755+00:00 | infer_roles_from_chebi_ancestry | ANNOTATED | Added media role: CARBON_SOURCE (confidence: 0.70) | |
| 2026-06-04T05:38:59.201324+00:00 | infer_energy_source | ANNOTATED | Added media role: ENERGY_SOURCE (confidence: 0.70) | |
| 2026-06-09T05:23:46.836846+00:00 | correct_stale_ontology_labels.py | CORRECTED | ontology_label 'Sodium succinate dibasic' -> '(2S,3S,4R,5S,6S)-2-[(3R,4R,5S,6R)-2,3-Dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol': synced to canonical CHEBI label (preferred_term 'Sodium succinate dibasic' unchanged). | |
| 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; ENERGY_SOURCE -> nutritional_roles.ENERGY_SOURCE | |
| 2026-08-06T00:00:00+00:00 | reground_263 LLM | CORRECTED | MAPPED | identifier CHEBI:150903 -> cas:150-90-3; ontology term CHEBI:150903 -> CHEBI:15741 (succinic acid). Re-grounded from CHEBI:150903 (an unrelated trisaccharide glycoside) (#263). Disodium succinate has no CHEBI entry (checked OAK CHEBI sqlite), so the record takes its CAS-RN as identifier with a narrowMatch to the parent acid, following the established cas: pattern (MAPPING_SEMANTICS.md Section 3). CAS-RN 150-90-3 was already correct. Dropped molecular_formula, inchi, smiles backfilled from the wrong term. |
| 2026-08-06T01:46:31.068306+00:00 | reground_263 LLM | CORRECTED | Added Section 3 anchor rows: narrowMatch CHEBI:15741 'succinic acid' and registry kgmicrobe.compound:sodium_succinate_dibasic. identifier cas:150-90-3 unchanged; mapping_quality FALLBACK_REGISTRY -> NARROW_MATCH. Disodium succinate has no CHEBI entry; nearest parent is the free acid. Re-grounded from CHEBI:150903 (an unrelated glycoside) in #263. | |
| 2026-08-13T00:00:00+00:00 | merge_cas_conflict_duplicates | REGROUNDED_PARENT_TERM | ontology_mapping CHEBI:15741 'succinic acid' -> CHEBI:63675 'sodium succinate (anhydrous)' (#320); the record is the disodium salt and was parented to the free acid. | |
| 2026-08-27T03:16:39.520274+00:00 | refresh_occurrence_statistics | CORRECTED | occurrence_statistics 3/3 -> 6/6 (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] | |
| 2026-09-21T03:52:08Z | retire_wrong_compound_synonyms LLM | CORRECTED | Marked 3 synonym(s) non-resolving: ['(2S,3S,4R,5S,6S)-2-[(3R,4R,5S,6R)-2,3-Dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol', '6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[alpha-D-gluco-hexopyranosyl-(1->4)]-D-galacto-hexopyranose', 'Fuc(a1-3)[Glc(a1-4)]Gal']. ChEBI gives these names to CHEBI:150903, not to this record's cas:150-90-3 -- disodium succinate is not the trisaccharide at CHEBI:150903 -- its CAS 150-90-3 read as an accession. Kept as REJECTED_LABEL so a rebuild cannot restore them from kg-microbe's synonym list (#669). |