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Substance Name: Microcystin AR
RN: 138258-91-0
InChIKey: PIBNCDNEMSHYQS-YGLLSLJESA-N

Molecular Formula

  • C46-H68-N10-O12

Molecular Weight

  • 953.101
 
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Names and Synonyms

Name of Substance

  • Microcystin AR

Synonyms

  • Cyanoginosin AR
  • Cyanoginosin LA, 3'L-alanine-5'L-arginine-

Registry Numbers

CAS Registry Number

  • 138258-91-0

System Generated Number

  • 0138258910

Structure Descriptors

InChI

1S/C46H68N10O12/c1-24(22-25(2)35(68-9)23-31-14-11-10-12-15-31)17-18-32-26(3)38(58)54-34(44(64)65)19-20-36(57)56(8)30(7)42(62)51-28(5)40(60)50-29(6)41(61)55-37(45(66)67)27(4)39(59)53-33(43(63)52-32)16-13-21-49-46(47)48/h10-12,14-15,17-18,22,25-29,32-35,37H,7,13,16,19-21,23H2,1-6,8-9H3,(H,50,60)(H,51,62)(H,52,63)(H,53,59)(H,54,58)(H,55,61)(H,64,65)(H,66,67)(H4,47,48,49)/b18-17+,24-22+/t25-,26-,27?,28+,29-,32-,33+,34+,35-,37+/m0/s1

InChIKey

PIBNCDNEMSHYQS-YGLLSLJESA-N

Smiles

C([C@H]1CCC(N(C(C(N[C@H](C)C(N[C@H](C(N[C@@H](C(=O)O)[C@@H](C(N[C@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](C(N1)=O)C)\C=C\C(C)=C\[C@H](C)[C@@H](OC)Cc1ccccc1)=O)C)=O)C)=O)=O)=C)C)=O)(=O)O