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Substance Name: 7-Desmethylmicrocystin LR
RN: 134842-07-2
InChIKey: WLWITBHAANNFHV-YNYQYFAYSA-N

Note

  • Toxic heptapeptide form an axenic strain of Microcystis aeruginosa, K-139; lacks N-methyl group of the dehydroalanine moiety of microcystin LR.

Molecular Formula

  • C48-H72-N10-O12

Molecular Weight

  • 981.1548
 
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Names and Synonyms

Name of Substance

  • 7-Desmethylmicrocystin LR

Systematic Name

  • Cyanoginosin LA, 1-(2,3-didehydroalanine)-5-L-arginine-

Registry Numbers

CAS Registry Number

  • 134842-07-2

System Generated Number

  • 0134842072

Structure Descriptors

InChI

1S/C48H72N10O12/c1-25(2)22-36-45(65)58-39(47(68)69)29(6)41(61)55-34(16-13-21-51-48(49)50)44(64)54-33(18-17-26(3)23-27(4)37(70-9)24-32-14-11-10-12-15-32)28(5)40(60)56-35(46(66)67)19-20-38(59)52-30(7)42(62)53-31(8)43(63)57-36/h10-12,14-15,17-18,23,25,27-29,31,33-37,39H,7,13,16,19-22,24H2,1-6,8-9H3,(H,52,59)(H,53,62)(H,54,64)(H,55,61)(H,56,60)(H,57,63)(H,58,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,26-23+/t27-,28-,29-,31+,33-,34-,35+,36+,37-,39+/m0/s1

InChIKey

WLWITBHAANNFHV-YNYQYFAYSA-N

Smiles

C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)C(=C)NC(=O)CC[C@@H](NC1=O)C(=O)O)C)CC(C)C)C(=O)O)C)CCCNC(=N)N)/C=C/C(=C/[C@H](C)[C@H](Cc2ccccc2)OC)/C