Ontology mapping
- Primary identifier
-
cas:3387-36-8
Chemical properties
- Cas rn
- 3387-36-8
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:51:33.117170+00:00
- Molecular formula
- C9H11N2Na2O9P
- Smiles
- C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)([O-])[O-])O)O.[Na+].[Na+]
- Inchi
- InChI=1S/C9H13N2O9P.2Na/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18;;/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18);;/q;2*+1/p-2/t4-,6-,7-,8-;;/m1../s1
- Pubchem cid
- 169020
Evidence (1)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT. CAS-RN 3387-36-8 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.
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:3387-36-8 as primary identifier; no CHEBI entry exists for this compound. |
| 2026-05-01T07:35:36.820749+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical)) | |
| 2026-05-02T02:55:53.145721+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_PUBCHEM_CHEMISTRY | molecular_formula=C9H11N2Na2O9P; smiles=C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)([O-])[O-])O)O.; inchi=InChI=1S/C9H13N2O9P.2Na/c12-5-1-2-11(9(15)10-5)8-7 | |
| 2026-05-02T03:12:19.135439+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) |