Ontology mapping
- Primary identifier
-
cas:591-59-3 - Ontology term
-
CHEBI:17138— glyceraldehyde 3-phosphate - Ontology label
- glyceraldehyde 3-phosphate
Rejected enrichment labels (1)
Provenance-only candidates: these are not synonyms and do not resolve to this record.
| Rejected label | Disposition | Source | Occurrences |
|---|---|---|---|
| 2-hydroxy-3-oxopropyl dihydrogen phosphate | REJECTED_LABEL | chebi_synonym_review |
Chemical properties
- Data source
- CultureBotHT compounds_to_cas.csv; PubChem CID 729
- Retrieval date
- 2026-09-12T00:00:00+00:00
- Molecular formula
- C3H7O6P
- Cas rn
- 591-59-3
- Pubchem cid
- 729
- Inchi
- InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)
- Smiles
- [H]C(=O)C(O)COP(=O)(O)O
Evidence (2)
DATABASE_MATCH
via CultureBotHT
SUPERSEDED (#456): the CAS-selected ChEBI term denotes a different stereochemical form. Original note follows. Imported from CultureBotHT. CAS-RN→CHEBI mapping resolved via OAK CHEBI sqlite (cas xref).
CURATOR_JUDGMENT
via MIM curation (#456)
The CultureBotHT label and CAS-RN name the DL/racemic form, while CHEBI:17138 is stereo-unspecified and has separate D and L children. No exact local ChEBI term denotes the racemate. Per MAPPING_SEMANTICS.md Section 3, the record now uses cas:591-59-3 as the exact registry identity plus a narrowMatch to CHEBI:17138.
Occurrence statistics
- Total occurrences
- 0
- Distinct media
- 0
Curation history
| Timestamp | Curator | Action | New status | Changes |
|---|---|---|---|---|
| 2026-04-29T06:34:31.158938+00:00 | audit_cas_chebi_followup | CREATED_FROM_CAS_LOOKUP | MAPPED | Created from CultureBotHT CAS-RN=591-59-3; CHEBI resolved via OAK CHEBI sqlite (cas xref); Imported from CultureBotHT. CAS-RN→CHEBI mapping resolved via OAK CHEBI sqlite (cas xref). |
| 2026-05-01T07:35:33.182629+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:29.116153+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C3H7O6P; inchi=InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2; smiles=[H]C(=O)C(O)COP(=O)(O)O | |
| 2026-05-02T03:12:13.905912+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-09-12T00:00:00+00:00 | fix_cas_stereochemical_identity_conflicts | REGROUNDED_STEREOCHEMICAL_FORM | MAPPED | identifier CHEBI:17138 -> cas:591-59-3; ontology mapping set to NARROW_MATCH CHEBI:17138 ('glyceraldehyde 3-phosphate'). Replaced target-derived chemistry and marked 1 inherited ChEBI synonym(s) as REJECTED_LABEL (#456). |