Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Yessotoxin
RN: 112514-54-2
UNII: P6M9FM2L2G
InChIKey: HCYDZFJGUKMTQB-AVHIVUAZSA-N

Note

  • From Patinopecten gessoensis.

Classification Code

  • Natural Product

Molecular Formula

  • C55-H82-O21-S2

Molecular Weight

  • 1143.36
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Yessotoxin

Synonyms

  • HSDB 7579
  • UNII-P6M9FM2L2G

Systematic Name

  • Yessotoxin

Registry Numbers

CAS Registry Number

  • 112514-54-2

FDA UNII

  • P6M9FM2L2G

System Generated Number

  • 0112514542

Structure Descriptors

InChI

1S/C55H82O21S2/c1-10-11-28(2)12-15-51(5,57)50-30(4)20-39-38(71-50)26-46-55(9,74-39)49(56)48-42(70-46)24-41-47(72-48)29(3)13-16-53(7)44(69-41)27-43-54(8,76-53)17-14-31-32(68-43)21-34-33(65-31)22-35-36(66-34)23-40-37(67-35)25-45(75-78(61,62)63)52(6,73-40)18-19-64-77(58,59)60/h10,12,15,29,31-50,56-57H,1-2,4,11,13-14,16-27H2,3,5-9H3,(H,58,59,60)(H,61,62,63)/b15-12+/t29-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40-,41-,42+,43-,44+,45-,46-,47+,48+,49+,50-,51+,52+,53-,54+,55-/m0/s1

InChIKey

HCYDZFJGUKMTQB-AVHIVUAZSA-N

Smiles

C(OS(O)(=O)=O)C[C@@]1([C@H](C[C@@H]2[C@@H](O1)C[C@@H]1[C@@H](C[C@@H]3[C@@H](O1)C[C@@H]1[C@@H](O3)CC[C@@]3([C@@H](O1)C[C@@H]1[C@](C)(O3)CC[C@H](C)[C@H]3O[C@@H]4[C@@H](C[C@H]3O1)O[C@@H]1[C@@]([C@@H]4O)(O[C@@H]3[C@@H](C1)O[C@@H](C(C3)=C)[C@@](C)(\C=C\C(CC=C)=C)O)C)C)O2)OS(O)(=O)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 286ug/kg (0.286mg/kg)   Toxicon. Vol. 28, Pg. 1095, 1990.