U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C55H82O21S2
Molecular Weight 1143.357
Optical Activity UNSPECIFIED
Defined Stereocenters 26 / 26
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of YESSOTOXIN

SMILES

[H][C@@]12C[C@H](OS(O)(=O)=O)[C@@](C)(CCOS(O)(=O)=O)O[C@@]1([H])C[C@@]3([H])O[C@@]4([H])C[C@@]5([H])O[C@@]6([H])C[C@@]7([H])O[C@@]8([H])C[C@@]9([H])O[C@@]%10([H])C[C@@]%11([H])O[C@@]([H])(C(=C)C[C@]%11([H])O[C@]%10(C)[C@H](O)[C@]9([H])O[C@]8([H])[C@@H](C)CC[C@]7(C)O[C@]6(C)CC[C@]5([H])O[C@]4([H])C[C@]3([H])O2)[C@](C)(O)\C=C\C(=C)CC=C

InChI

InChIKey=HCYDZFJGUKMTQB-AVHIVUAZSA-N
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

HIDE SMILES / InChI

Molecular Formula C55H82O21S2
Molecular Weight 1143.357
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 26 / 26
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Azaspiracid-1 alters the E-cadherin pool in epithelial cells.
2007 Feb
Paraptosis-like cell death induced by yessotoxin.
2011 Dec
Key role of phosphodiesterase 4A (PDE4A) in autophagy triggered by yessotoxin.
2015 Mar 2
Yessotoxin activates cell death pathways independent of Protein Kinase C in K-562 human leukemic cell line.
2015 Oct
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:09:11 GMT 2023
Edited
by admin
on Sat Dec 16 08:09:11 GMT 2023
Record UNII
P6M9FM2L2G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
YESSOTOXIN
HSDB  
Common Name English
YESSOTOXIN [HSDB]
Common Name English
(+)-YESSOTOXIN
Common Name English
ISOLATED FROM THE DIGESTIVE GLANDS OF THE SCALLOP PATINOPECTEN YESSOENSIS FROM THE DINOFLAGELLATE DINOPHYSIS FORTII THAT ACCUMULATES IN THE SCALLOP
Common Name English
Code System Code Type Description
CAS
112514-54-2
Created by admin on Sat Dec 16 08:09:11 GMT 2023 , Edited by admin on Sat Dec 16 08:09:11 GMT 2023
PRIMARY
PUBCHEM
6440821
Created by admin on Sat Dec 16 08:09:11 GMT 2023 , Edited by admin on Sat Dec 16 08:09:11 GMT 2023
PRIMARY
HSDB
7579
Created by admin on Sat Dec 16 08:09:11 GMT 2023 , Edited by admin on Sat Dec 16 08:09:11 GMT 2023
PRIMARY
WIKIPEDIA
Yessotoxin
Created by admin on Sat Dec 16 08:09:11 GMT 2023 , Edited by admin on Sat Dec 16 08:09:11 GMT 2023
PRIMARY
FDA UNII
P6M9FM2L2G
Created by admin on Sat Dec 16 08:09:11 GMT 2023 , Edited by admin on Sat Dec 16 08:09:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID20880023
Created by admin on Sat Dec 16 08:09:11 GMT 2023 , Edited by admin on Sat Dec 16 08:09:11 GMT 2023
PRIMARY