Account Coenzyme A, S-(9Z)-9-octadecenoate, triammonium salt
- Catalog No. :
- ACCRJQ906
- CAS No. :
- 799812-89-8
- Molecular Formula :
- C39H71N8O17P3S
- Molecular Weight :
- 1049.03
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) (Z)-octadec-9-enethioate, ammonia salt
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Product Information
| Product Name | Coenzyme A, S-(9Z)-9-octadecenoate, triammonium salt |
|---|---|
| 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) (Z)-octadec-9-enethioate, ammonia salt |
| Molecular Formula | C39H71N8O17P3S |
| Molecular Weight | 1049.03 |
| SMILES | O[C@@H]1[C@H](OP(O)(O)=O)[C@@H](COP(O)(OP(O)(OCC(C)([C@H](C(NCCC(NCCSC(CCCCCCC/C=C\CCCCCCCC)=O)=O)=O)O)C)=O)=O)O[C@]1(N2C=NC3=C(N)N=CN=C23)[H].N |
| InChI Key | ILHFNSKDIOYFAP-NMGRLVKYSA-N |
| Synonym | (9Z-OCTADECENOYL) COENZYME A (AMMONIUM SALT);18:1 (N9) COENZYME A;18:1 (n9) Coenzyme A;(9Z-octadecenoyl) CoenzyMe A (aMMoniuM salt);[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-[[3-[2-[(Z)-octadec-9-enoyl]sulfanylethylamino]-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate |
| CAS No. | 799812-89-8 |
| PubChem CID | 145710468 |
Safety Data
- Pictogram
- Signal Word
- Warning
- 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. ACCRJQ906 Molecular Building Block Synthetic Route
Coenzyme A, S-(9Z)-9-hexadecenoate, ammonium salt (1:3)
S-(2-(3-(4-((((((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) (E)-hexadec-9-enethioate
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) (Z)-octadec-9-enethioate