trans-2-Dodecenedioyl-CoA

cas: 138149-22-1 — see every product listed under this CAS number, including other names

trans-2-Dodecenedioyl-CoA (CAS 138149-22-1) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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Structural formula: {0} (CAS {1})

12-[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]ethylsulfanyl]-12-oxododec-10-enoic acid (CAS 138149-22-1) is a chemical compound with the molecular formula C33H54N7O19P3S and a molecular weight of 977.8 g/mol. IUPAC name: 12-[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]ethylsulfanyl]-12-oxododec-10-enoic acid. InChIKey: HDHLFIYFSWIQDJ-HTKIKNFPSA-N.

Identity
Molecular formulaC33H54N7O19P3S
Molecular weight977.8 g/mol
IUPAC name12-[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]ethylsulfanyl]-12-oxododec-10-enoic acid
InChIKeyHDHLFIYFSWIQDJ-HTKIKNFPSA-N
SMILESCC(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)[C@H](C(=O)NCCC(=O)NCCSC(=O)C=CCCCCCCCCC(=O)O)O

Computed by PubChem (NCBI)

Synonyms: orb3145112

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