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Substance Name: Toxin II, cyanobacterium
RN: 120011-66-7
InChIKey: VYEBKSHVYPDMQQ-MREVJOSWSA-N

Note

  • From M. aeruginosa.

Molecular Formula

  • C48-H72-N10-O12

Molecular Weight

  • 981.155
 
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Names and Synonyms

Name of Substance

  • Toxin II, cyanobacterium

Synonym

  • Cyclo-ala-leu-isoasp-arg-adda-isoglu-N-mdha

Systematic Name

  • Cyanoginosin LA, 4-D-beta-aspartic acid-5-L-arginine-

Registry Numbers

CAS Registry Number

  • 120011-66-7

System Generated Number

  • 0120011667

Structure Descriptors

InChI

1S/C48H72N10O12/c1-26(2)22-36-45(65)57-37(47(68)69)25-39(59)53-34(16-13-21-51-48(49)50)44(64)54-33(18-17-27(3)23-28(4)38(70-9)24-32-14-11-10-12-15-32)29(5)41(61)55-35(46(66)67)19-20-40(60)58(8)31(7)43(63)52-30(6)42(62)56-36/h10-12,14-15,17-18,23,26,28-30,33-38H,7,13,16,19-22,24-25H2,1-6,8-9H3,(H,52,63)(H,53,59)(H,54,64)(H,55,61)(H,56,62)(H,57,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,27-23+/t28-,29-,30+,33-,34-,35+,36-,37+,38-/m0/s1

InChIKey

VYEBKSHVYPDMQQ-MREVJOSWSA-N

Smiles

c1(ccccc1)C[C@@H]([C@H](\C=C(\C=C\[C@@H]1NC([C@@H](NC(C[C@H](C(=O)O)NC(=O)[C@@H](NC([C@H](NC(=O)C(N(C(=O)CC[C@H](C(=O)O)NC(=O)[C@H]1C)C)=C)C)=O)CC(C)C)=O)CCCNC(=N)N)=O)C)C)OC