Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Holothurin
RN: 11029-72-4
InChIKey: MAWWITJOQDJRJF-ADBICINLSA-M

Note

  • A highly toxic saponin occurring in HOLOTHUROIDEA. This marine toxin is an anionic surfactant, hemolyzing ERYTHROCYTES.

Molecular Formula

  • C50-H82-O26-S

Molecular Weight

  • 1189.2965
 

Classification Codes

  • Cholinergic Agents
  • Mutation Data
  • Neurotransmitter Agents
  • Noxae
  • Poisons
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Holothurin

MeSH Heading

  • Holothurin

Synonym

  • Holothurin

Systematic Name

  • Holothurin

Registry Numbers

CAS Registry Number

  • 11029-72-4

System Generated Number

  • 0011029724

Structure Descriptors

InChI

1S/C54H86O25S.Na/c1-22-32(56)40(68-11)37(61)44(70-22)75-41-33(57)23(2)71-45(38(41)62)74-39-24(3)72-43(36(60)35(39)59)76-42-34(58)27(79-80(65,66)67)21-69-46(42)73-30-15-17-50(8)26-20-29(55)54-47(63)78-52(10,31-14-16-48(4,5)77-31)53(54,64)19-18-51(54,9)25(26)12-13-28(50)49(30,6)7;/h20,22-25,27-46,55-62,64H,12-19,21H2,1-11H3,(H,65,66,67);/q;+1/p-1/t22-,23-,24-,25-,27-,28+,29+,30+,31+,32-,33-,34+,35-,36-,37-,38-,39-,40+,41+,42-,43+,44+,45+,46+,50-,51+,52+,53+,54-;/m1./s1

InChIKey

MAWWITJOQDJRJF-ADBICINLSA-M

Smiles

[C@]123[C@@]([C@@](OC2=O)([C@H]2OC(CC2)(C)C)C)(CC[C@]1([C@H]1C(=C[C@@H]3O)[C@@]2([C@H](C([C@@H](O[C@H]3[C@H](O[C@H]4[C@@H]([C@H]([C@H](O[C@H]5[C@@H]([C@@H](O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C)O)OC)O)[C@@H]([C@H](O5)C)O)O)[C@H](O4)C)O)O)[C@H]([C@H](OS(=O)(=O)[O-])CO3)O)CC2)(C)C)CC1)C)C)O.[Na+]