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Substance Name: Microcystin
RN: 77238-39-2
InChIKey: SRUWWOSWHXIIIA-UKPGNTDSSA-N

Note

  • Microcystins have the general structure cyclo(D-Ala-L-X-D-erythro--methylisoasp-L-Y-Adda-D-isoGlu-N-methyldehydroAla) where X and Y are variable L-amino acids.

Classification Codes

  • Enzyme Inhibitors
  • Natural Product

Molecular Weight

  • 995.1816
 
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Names and Synonyms

Name of Substance

  • Microcystin

Synonyms

  • Cyanoginosin
  • Fast-death factor

Systematic Name

  • Microcystin

Registry Numbers

CAS Registry Number

  • 77238-39-2

System Generated Number

  • 0077238392

Structure Descriptors

InChI

1S/C49H74N10O12/c1-26(2)23-36-45(66)57-40(48(70)71)30(6)41(62)55-35(17-14-22-52-49(50)51)44(65)54-34(19-18-27(3)24-28(4)38(60)25-33-15-12-11-13-16-33)29(5)46(67)59(10)37(47(68)69)20-21-39(61)58(9)32(8)43(64)53-31(7)42(63)56-36/h11-13,15-16,18-19,24,26,28-31,34-38,40,60H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,63)(H,57,66)(H,68,69)(H,70,71)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31-,34-,35-,36-,37+,38-,40+/m0/s1

InChIKey

SRUWWOSWHXIIIA-UKPGNTDSSA-N

Smiles

C1(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(=C)N(C(=O)CC[C@@H](N(C(=O)[C@H]([C@H](/C=C/C(=C/[C@@H]([C@H](Cc2ccccc2)O)C)C)N1)C)C)C(=O)O)C)C)CC(C)C)C(=O)O)C)CCCNC(=N)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 466ug/kg (0.466mg/kg)   Canadian Journal of Biochemistry and Physiology. Vol. 37, Pg. 453, 1959.