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Substance Name: 7-Desmethylmicrocystin RR
RN: 131022-02-1
InChIKey: ANEDRERLGQEWQI-UAWDZTONSA-N

Note

  • A hepatotoxin from a waterbloom of Microcystis aeruginosa.

Molecular Formula

  • C48-H73-N13-O12

Molecular Weight

  • 1024.18
 
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Names and Synonyms

Name of Substance

  • 7-Desmethylmicrocystin RR

Synonyms

  • 7-Demethylmicrocystin RR
  • 7-Desmethyl-microcystin-RR

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 131022-02-1

System Generated Number

  • 0131022021

Structure Descriptors

InChI

1S/C48H73N13O12/c1-25(23-26(2)36(73-7)24-31-13-9-8-10-14-31)17-18-32-27(3)39(63)60-35(45(69)70)19-20-37(62)55-29(5)41(65)56-30(6)42(66)59-34(16-12-22-54-48(51)52)44(68)61-38(46(71)72)28(4)40(64)58-33(43(67)57-32)15-11-21-53-47(49)50/h8-10,13-14,17-18,23,26-28,30,32-36,38H,5,11-12,15-16,19-22,24H2,1-4,6-7H3,(H,55,62)(H,56,65)(H,57,67)(H,58,64)(H,59,66)(H,60,63)(H,61,68)(H,69,70)(H,71,72)(H4,49,50,53)(H4,51,52,54)/b18-17+,25-23+/t26-,27-,28-,30+,32-,33-,34-,35+,36-,38+/m0/s1

InChIKey

ANEDRERLGQEWQI-UAWDZTONSA-N

Smiles

N1[C@@H](C(O)=O)[C@H](C)C(N[C@@H](CCCNC(=N)N)C(N[C@@H](\C=C\C(C)=C\[C@@H]([C@H](Cc2ccccc2)OC)C)[C@H](C)C(=O)N[C@@H](C(O)=O)CCC(NC(C(=O)N[C@@H](C(N[C@H](CCCNC(=N)N)C1=O)=O)C)=C)=O)=O)=O