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Substance Name: Microcystin RR
RN: 111755-37-4
UNII: CZ021GH33H
InChIKey: JIGDOBKZMULDHS-UUHBQKJESA-N

Note

  • Isolated cyanobacterium.

Molecular Formula

  • C49-H75-N13-O12

Molecular Weight

  • 1038.2105
 
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Names and Synonyms

Name of Substance

  • Microcystin RR

Synonyms

  • Cyanoginosin LA, 3-arginyl-5-arginine-
  • Cyanoginosin LA, 3-L-arginyl-5-L-arginine
  • Cyanoginosin RR
  • Cyanoginosin-RR
  • Microcystin RR
  • UNII-CZ021GH33H

Systematic Name

  • Cyanoginosin LA, 3-L-arginine-5-L-arginine-

Registry Numbers

CAS Registry Number

  • 111755-37-4

FDA UNII

  • CZ021GH33H

System Generated Number

  • 0111755374

Structure Descriptors

InChI

1S/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,27-30,33-37,39H,6,12-13,16-17,20-23,25H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,64)(H,61,69)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/b19-18+,26-24+/t27-,28-,29-,30+,33-,34-,35-,36+,37-,39+/m0/s1

InChIKey

JIGDOBKZMULDHS-UUHBQKJESA-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)N(C(=O)CC[C@@H](NC1=O)C(=O)O)C)C)CCCNC(=N)N)C(=O)O)C)CCCNC(=N)N)/C=C/C(=C/[C@H](C)[C@H](Cc2ccccc2)OC)/C