Azaspiracid-3

Progenitors

No progenitors registered

Vector Species

Name

Mytilus edulis

References

Ofuji, K, 1999

First report on isolation from shellfish. AZA-3 is s shellfish metabolite of AZA-1 See: Kilcoyne, J., P. McCarron, M. J. Twiner, F. Rise, P. Hess, A. L. Wilkins and C. O. Miles (2018). "Identification of 21,22-Dehydroazaspiracids in Mussels (Mytilus edulis) and in Vitro Toxicity of Azaspiracid-26." Journal of Natural Products 81(4): 885-893.

Structure

Formula

C46H69NO12

Exact mono-isotopic mass

827.48198

Molfile

see other chem files

Alternative molfiles

n/a

SMILES

C=C([C@]4([H])[C@@H](C)CC[C@@]([C@H](O)[C@]5([H])C[C@](O[C@@]7(CC[C@]8(CC=C[C@](/C=C/CCC(O)=O)([H])O8)O7)[C@H](C)C6)([H])[C@]6([H])O5)(O)O4)C[C@](O3)(O9)C[C@@H](C)C[C@@H]9[C@@]([C@@]3([H])C2)([H])O[C@@]12[C@@H](C)C[C@@H](C)CN1

Alternative SMILES

n/a

InChi key

Alternative InChi keys

n/a

InChi

Alternative InChis

Spectra available

True

Chem files

chemfiles/AZA-3.cdx chemfiles/AZA-3.mol

References

Ofuji, K, 1999

First report on chemical structure

Certified

True

Certified links

• National Research Council Canada
  Halifax CRM Sales Office 1411 Oxford Street Halifax, Nova Scotia B3H 3Z1 Telephone: 1-902-426-8281 Email:CRM-MRCHalifax@nrc-cnrc.gc.ca

Non certified reference material

Unknown

Chemical analysis

Research

True

Standardized

True

Validated

True

Official

n/a

Structure recognition assays

Research

Unknown

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

Unknown

Molecular targets

n/a

Toxic to aquatic animals

Unknown

TEF available

True

Notes

Bernd Krock

Contact