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Substance Name: (Admaadda(5)-mser(7))microsystin-LR
RN: 141634-77-7
InChIKey: FGMNKDLRQCTWIB-BYOYILFWSA-N

Note

  • Cyclic heptapeptide heptatoxin from Nostoc sp. strain 152.

Molecular Formula

  • C50-H76-N10-O14

Molecular Weight

  • 1041.2064
 
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Names and Synonyms

Name of Substance

  • (Admaadda(5)-mser(7))microsystin-LR

Synonym

  • Admaadda-MS-M-LR

Systematic Name

  • Cyanoginosin LA, 1-(N-methylserine)-5-L-arginine-6-((2S,4E,6E,8S,9S)-9-(acetyloxy)-4,5,6,7-tetradehydro-2,6,8-trimethyl-10-phenyl-L-3-aminodecanoic acid)-

Registry Numbers

CAS Registry Number

  • 141634-77-7

System Generated Number

  • 0141634777

Structure Descriptors

InChI

1S/C50H76N10O14/c1-26(2)22-37-46(68)59-41(49(72)73)30(6)43(65)56-35(16-13-21-53-50(51)52)45(67)55-34(18-17-27(3)23-28(4)39(74-32(8)62)24-33-14-11-10-12-15-33)29(5)42(64)57-36(48(70)71)19-20-40(63)60(9)38(25-61)47(69)54-31(7)44(66)58-37/h10-12,14-15,17-18,23,26,28-31,34-39,41,61H,13,16,19-22,24-25H2,1-9H3,(H,54,69)(H,55,67)(H,56,65)(H,57,64)(H,58,66)(H,59,68)(H,70,71)(H,72,73)(H4,51,52,53)/b18-17+,27-23+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,39-,41+/m0/s1

InChIKey

FGMNKDLRQCTWIB-BYOYILFWSA-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@@H](N(C(=O)CC[C@@H](NC1=O)C(=O)O)C)CO)C)CC(C)C)C(=O)O)C)CCCNC(=N)N)/C=C/C(=C/[C@H](C)[C@H](Cc2ccccc2)OC(=O)C)/C