- Recommended name
- Azaspiracid-1
- Synonyms
- Killary toxin, Azaspiracid
- Recommended acronym
- AZA1
- Abbreviation
- Structure
-
- Formula
- C47H71NO12
- Exact mono-isotopic mass
- 841.49763
- Molfile
- n/a
- Alternative molfiles
- n/a
- SMILES
- OC(CC/C=C/[C@@]1([H])O[C@](CC[C@@]23[C@H](C)C[C@](O[C@@]([C@H](O)[C@]4(O)O[C@@](C(C[C@]5(O[C@@]6([H])[C@]7([H])O[C@@]8(NC[C@H](C)C[C@@H]8C)C6)O[C@@H]7C[C@H](C)C5)=C)([H])[C@@H](C)C[C@H]4C)([H])C9)([H])[C@]9([H])O2)(O3)CC=C1)=O
- Alternative SMILES
- n/a
- InChi key
- BVZWTQCTAVYACS-KVGHCGRPSA-N
- Alternative InChi keys
- n/a
- InChi
- InChI=1S/C47H71NO12/c1-26-18-36-41-38(24-45(58-41)30(5)17-27(2)25-48-45)56-44(22-26,55-36)23-29(4)40-28(3)19-32(7)47(52,59-40)42(51)37-21-35-34(53-37)20-31(6)46(57-35)16-15-43(60-46)14-10-12-33(54-43)11-8-9-13-39(49)50/h8,10-12,26-28,30-38,40-42,48,51-52H,4,9,13-25H2,1-3,5-7H3,(H,49,50)/b11-8+/t26-,27+,28-,30-,31+,32+,33+,34+,35+,36+,37-,38+,40-,41+,42-,43-,44-,45-,46+,47+/m0/s1
- Alternative InChis
- Spectra available
- True
- Chem files
- Certified
- True
- Certified links
-
-
n/a
- Non certified reference material
- Unknown
Chemical analysis
- Research
- Unknown
- Standardized
- Unknown
- Validated
- Unknown
- Official
- n/a
Structure recognition assays
- Research
- True
- Standardized
- Unknown
- Validated
- Unknown
- Official
- n/a
Functional assays
- Research
- Unknown
- Standardized
- Unknown
- Validated
- Unknown
- Official
- n/a
Animal assays
- Research
- Unknown
- Standardized
- Unknown
- Validated
- Unknown
- Official
- n/a
- Regulatory status
- True
- Human toxic syndrome(s)
- Azaspiracid Shellfish Poisoning
- Organ system toxicity
- Gastro-intestinal toxicity
- Risk assessment
- Unknown
- Molecular targets known
- False
- Molecular targets
- n/a
- Toxic to aquatic animals
- Unknown
- TEF available
- Unknown
- Notes