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Substance Name: Microcystin LA, 1-(N-methyl-D-alanine)-5-L-arginine-
RN: 146145-26-8
InChIKey: XVXFRYMCSIZPFI-ORZJCNCZSA-N

Molecular Formula

  • C49-H76-N10-O12

Molecular Weight

  • 997.1974
 
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Names and Synonyms

Synonyms

  • (D-MeAla7)microcystin-LR
  • 1-(N-Methyl-D-alanine)-5-L-argininemicrocystin LA

Systematic Name

  • Microcystin LA, 1-(N-methyl-D-alanine)-5-L-arginine-

Registry Numbers

CAS Registry Number

  • 146145-26-8

System Generated Number

  • 0146145268

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

CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(N(C(=O)CCC(NC1=O)C(=O)O)C)C)C)CC(C)C)C(=O)O)C)CCCNC(=N)N)/C=C/C(=C/C(C)C(Cc2ccccc2)OC)/C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100ug/kg (0.1mg/kg)   Chemical Research in Toxicology. Vol. 6, Pg. 151, 1993.