Ontology mapping
- Primary identifier
-
cas:97281-52-2 - Ontology term
-
CHEBI:28874— phosphatidylinositol - Ontology label
- phosphatidylinositol
Chemical properties
- Cas rn
- 97281-52-2
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:51:33.117170+00:00
- Molecular formula
- C45H87O13P
- Smiles
- CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC
- Inchi
- InChI=1S/C45H87O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40-45,48-52H,3-36H2,1-2H3,(H,53,54)/t37-,40?,41-,42+,43-,44-,45?/m1/s1
- Pubchem cid
- 15488999
Evidence (2)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT with CAS-RN 97281-52-2; no single-structure CHEBI term exists for the soybean phosphatidylinositol mixture.
CURATOR_JUDGMENT
via fix_id_label_correspondence (chemical-class remap)
Remapped from mesh:D013025 "Soybeans" (a source-organism stand-in) to the chemical class CHEBI:28874 "phosphatidylinositol" (any glycerophosphoinositol with one phosphatidyl group esterified to inositol). The commercial product is a natural soybean PI mixture, so the generic class is the correct grounding rather than a single PI species (e.g. CHEBI:136245 "phosphatidylinositol 36:1"); the term is broader than the ingredient → BROAD_MATCH. Mirrors the sibling L-alpha-Phosphatidylcholine → CHEBI:86658 mapping. identifier kept as cas:97281-52-2 (class match is not exact, so not promoted to a CHEBI primary).
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:97281-52-2 as primary identifier; no CHEBI entry exists for this compound. |
| 2026-05-01T07:35:34.425200+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=UNDEFINED_MIXTURE (name matches complex pattern 'soybean') | |
| 2026-05-02T02:53:48.928682+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_PUBCHEM_CHEMISTRY | molecular_formula=C45H87O13P; smiles=CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O; inchi=InChI=1S/C45H87O13P/c1-3-5-7-9-11-13-15-17-19-21-2 | |
| 2026-05-02T03:12:15.613155+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-05-02T04:51:19.478060+00:00 | backfill_parent_terms | BACKFILL_PARENT_MESH | set ontology_mapping parent=mesh:D013025 (stem-substring) | |
| 2026-06-13T00:00:00+00:00 | fix_id_label_correspondence | CORRECTED | Remapped ontology_mapping from mesh:D013025 "Soybeans" (NARROW_MATCH source organism) to CHEBI:28874 "phosphatidylinositol" (BROAD_MATCH chemical class) — the chemically correct grounding for a soybean phosphatidylinositol mixture. ontology_source MESH → CHEBI; identifier kept as cas:97281-52-2. |