Ontology mapping
- Primary identifier
-
cas:322455-70-9
Chemical properties
- Cas rn
- 322455-70-9
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:51:33.117170+00:00
- Molecular formula
- C84H140N14O18S
- Smiles
- CCCCCCCCCCCCCCCC(=O)OCC(CSCC(C(=O)NCC(=O)NC(CC(=O)O)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(CC2=CN=CN2)C(=O)N3CCCC3C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CC4=CC=CC=C4)C(=O)O)N)OC(=O)CCCCCCCCCCCCCCC
- Inchi
- InChI=1S/C84H140N14O18S/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-44-74(103)115-56-62(116-75(104)45-31-26-24-22-20-18-16-14-12-10-8-6-4-2)57-117-58-63(87)76(105)89-54-72(100)91-67(52-73(101)102)83(112)98-49-37-43-71(98)81(110)92-64(40-32-34-46-85)77(106)94-66(51-61-53-88-59-90-61)82(111)97-48-36-42-70(97)80(109)93-65(41-33-35-47-86)78(107)96-69(55-99)79(108)95-68(84(113)114)50-60-38-28-27-29-39-60/h27-29,38-39,53,59,62-71,99H,3-26,30-37,40-52,54-58,85-87H2,1-2H3,(H,88,90)(H,89,105)(H,91,100)(H,92,110)(H,93,109)(H,94,106)(H,95,108)(H,96,107)(H,101,102)(H,113,114)/t62?,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1
- Pubchem cid
- 87858248
Evidence (1)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT. CAS-RN 322455-70-9 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:322455-70-9 as primary identifier; no CHEBI entry exists for this compound. |
| 2026-05-01T07:35:33.498491+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical)) | |
| 2026-05-02T02:53:02.291274+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_PUBCHEM_CHEMISTRY | molecular_formula=C84H140N14O18S; smiles=CCCCCCCCCCCCCCCC(=O)OCC(CSCC(C(=O)NCC(=O)NC(CC(=O); inchi=InChI=1S/C84H140N14O18S/c1-3-5-7-9-11-13-15-17-19- | |
| 2026-05-02T03:12:14.331514+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) |