(2E,5Z)-Dodecadieonyl-CoA

cas: 164415-14-9 — see every product listed under this CAS number, including other names

(2E,5Z)-Dodecadieonyl-CoA (CAS 164415-14-9) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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catalog numberHY-CE00146-Get quote
cas164415-14-9
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Structural formula: {0} (CAS {1})

S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (2E,5Z)-dodeca-2,5-dienethioate (CAS 164415-14-9) is a chemical compound with the molecular formula C33H54N7O17P3S and a molecular weight of 945.8 g/mol. IUPAC name: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (2E,5Z)-dodeca-2,5-dienethioate. InChIKey: ZSJRXHRCABOSNC-SHJPOGNXSA-N.

Identity
Molecular formulaC33H54N7O17P3S
Molecular weight945.8 g/mol
IUPAC nameS-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (2E,5Z)-dodeca-2,5-dienethioate
InChIKeyZSJRXHRCABOSNC-SHJPOGNXSA-N
SMILESCCCCCC/C=C\C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O

Computed by PubChem (NCBI)

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