Account 9(Z),12(Z)-Octadecadienoyl coenzyme
- Catalog No. :
- ACOYTW299
- CAS No. :
- 6709-57-5
- Molecular Formula :
- C39H66N7O17P3S
- Molecular Weight :
- 1029.98
IUPAC Name:S-(2-(3-((2R)-4-(((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl) (9Z,12Z)-octadeca-9,12-dienethioate
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Product Information
| Product Name | 9(Z),12(Z)-Octadecadienoyl coenzyme |
|---|---|
| IUPAC Name | S-(2-(3-((2R)-4-(((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl) (9Z,12Z)-octadeca-9,12-dienethioate |
| MDL No. | MFCD00079408 |
| Molecular Formula | C39H66N7O17P3S |
| Molecular Weight | 1029.98 |
| SMILES | O[C@H]1[C@](O[C@@H]([C@H]1OP(O)(O)=O)COP(OP(OCC(C)(C)[C@@H](O)C(NCCC(NCCSC(CCCCCCC/C=C\C/C=C\CCCCC)=O)=O)=O)(O)=O)(O)=O)([H])N2C3=NC=NC(N)=C3N=C2 |
| InChI Key | YECLLIMZHNYFCK-RRNJGNTNSA-N |
| Synonym | LINOLEOYL COENZYME A;(Z,Z)-9,12-Octadecadienoyl-coa;18:2, Linoleoyl-coa;9H-Purin-6-amine, 9-[5-o-[hydroxy[[hydroxy[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[[(9Z,12Z)-1-oxo-9,12-octadecadienyl]thio]ethyl]amino]propyl]amino]butyl]oxy]phosphinyl]oxy]phosphinyl]-3-;Coenzyme A, S-(9Z,12Z)-9,12-octadecadienoate (9ci);Coenzyme A, S-9,12-octadecadienoate, (Z,Z)-;Coenzyme A, S-linoleate (7ci,8ci);Linoleyl-coa |
| CAS No. | 6709-57-5 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Synthetic Route by SureRoute
2. ACOYTW299 Molecular Building Block Synthetic Route
5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-((((((3-hydroxy-2,2-dimethyl-4-oxo-4-((3-oxo-3-((2-(tetratriaconta-16,19,22,25,28-pentaenoylthio)ethyl)amino)propyl)amino)butoxy)oxidophosphoryl)oxy)oxidophosphoryl)oxy)methyl)tetrahydrofuran-3-yl phosphate
Coenzyme A, S-(9Z,12Z)-9,12-octadecadienoate, ammonium salt (1:3)
Coenzyme A, S-[(5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraenoate], triammonium salt