YESSOTOXIN

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 Search

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

Title	Date	PubMed
Paraptosis-like cell death induced by yessotoxin.	2011 Dec	21945047

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

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Name

Type

Language

YESSOTOXIN

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