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Substance Name: Dihydromicrocystin LR
RN: 129678-94-0
InChIKey: XVXFRYMCSIZPFI-ORZJCNCZSA-N

Note

  • Cyclic heptapeptide hepatotoxin from the cyanobacterium Microcystis aeruginosa.

Molecular Formula

  • C49-H76-N10-O12

Molecular Weight

  • 997.197
 
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Names and Synonyms

Name of Substance

  • Dihydromicrocystin LR

Synonyms

  • Cyclo(ala-leu-beta-methyl-asp-arg-adda-glu-N-methyldehydro-ala)
  • Cyclo(alanyl-leucyl-beta-methyl-aspartyl-arginyl-(3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid)-glutamyl-N-methyldehydroalanyl)
  • Dihydromicrocystin-LR

Systematic Name

  • Cyanoginosin LA, 1-(N-methyl-DL-alanine)-5-L-arginine-

Registry Numbers

CAS Registry Number

  • 129678-94-0

System Generated Number

  • 0129678940

Structure Descriptors

InChI

1S/C49H76N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-32,34-38,40H,14,17,20-23,25H2,1-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+

InChIKey

XVXFRYMCSIZPFI-ORZJCNCZSA-N

Smiles

c1(ccccc1)C[C@@H]([C@@H](\C=C(\C=C\[C@@H]1[C@@H](C(N[C@@H](C(=O)O)CCC(=O)N(C)[C@@H](C)C(N[C@@H](C)C(N[C@@H](CC(C)C)C(N[C@@H]([C@@H](C(N[C@@H](C(=O)N1)CCCNC(N)=N)=O)C)C(O)=O)=O)=O)=O)=O)C)C)C)OC