(9Z,11E)-Octadecadienoyl-CoA

cas: 229493-99-6 — see every product listed under this CAS number, including other names

(9Z,11E)-Octadecadienoyl-CoA (CAS 229493-99-6) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

brandMedChemExpress
catalog numberHY-CE00456-Get quote
cas229493-99-6
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Structural formula: {0} (CAS {1})

(9Z,11E)-octadecadienoyl-CoA is an octadecadienoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (9Z,11E)-octadecadienoic acid. It is functionally related to a 9-cis,11-trans-octadecadienoic acid. It is a conjugate acid of a (9Z,11E)-octadecadienoyl-CoA(4-).

Source: ChEBI

Identity
Molecular formulaC39H66N7O17P3S
Molecular weight1030.0 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] (9Z,11E)-octadeca-9,11-dienethioate
InChIKeyAHZCZESKRQDJSS-CQBJTUNBSA-N
SMILESCCCCCC/C=C/C=C\CCCCCCCC(=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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