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Substance Name: Microcystin YR
RN: 101064-48-6
UNII: 4G08121T5U
InChIKey: OWHASZQTEFAUJC-GJRPNUFSSA-N

Note

  • Isolated from cyanobacterium.

Molecular Formula

  • C52-H72-N10-O13

Molecular Weight

  • 1045.2
 
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Names and Synonyms

Name of Substance

  • Microcystin YR

Synonyms

  • cyanoginosin LA, 3-L-tyrosyl-5-L-arginine
  • Cyanoginosin LA, 3-tyrosyl-5-arginine-
  • Cyanoginosin YR
  • Cyanoginosin-YR
  • UNII-4G08121T5U

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 101064-48-6

FDA UNII

  • 4G08121T5U

System Generated Number

  • 0101064486

Structure Descriptors

InChI

1S/C52H72N10O13/c1-28(25-29(2)41(75-8)27-34-13-10-9-11-14-34)16-21-37-30(3)44(65)59-39(50(71)72)22-23-42(64)62(7)33(6)47(68)56-32(5)46(67)60-40(26-35-17-19-36(63)20-18-35)49(70)61-43(51(73)74)31(4)45(66)58-38(48(69)57-37)15-12-24-55-52(53)54/h9-11,13-14,16-21,25,29-32,37-41,43,63H,6,12,15,22-24,26-27H2,1-5,7-8H3,(H,56,68)(H,57,69)(H,58,66)(H,59,65)(H,60,67)(H,61,70)(H,71,72)(H,73,74)(H4,53,54,55)/b21-16+,28-25+/t29-,30-,31-,32+,37-,38-,39+,40-,41-,43+/m0/s1

InChIKey

OWHASZQTEFAUJC-GJRPNUFSSA-N

Smiles

c1(ccc(cc1)C[C@H]1C(N[C@@H](C(=O)O)[C@@H](C(N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](\C=C\C(=C\[C@@H]([C@H](Cc2ccccc2)OC)C)C)[C@H](C)C(=O)N[C@@H](C(O)=O)CCC(=O)N(C)C(=C)C(N[C@H](C)C(=O)N1)=O)=O)C)=O)O