Products 30960-17-9

CAS 30960-17-9 is the registry number for S-4,7,10,13,16-Docosapentaenoate-CoA. Offered by: MedChemExpress. Available pack sizes: Get quote.

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

S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] docosa-4,7,10,13,16-pentaenethioate (CAS 30960-17-9) is a chemical compound with the molecular formula C43H68N7O17P3S and a molecular weight of 1080.0 g/mol. IUPAC name: S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] docosa-4,7,10,13,16-pentaenethioate. InChIKey: QKBTYZDPVNTERQ-UHFFFAOYSA-N.

Identity
Molecular formulaC43H68N7O17P3S
Molecular weight1080.0 g/mol
IUPAC nameS-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] docosa-4,7,10,13,16-pentaenethioate
InChIKeyQKBTYZDPVNTERQ-UHFFFAOYSA-N
SMILESCCCCCC=CCC=CCC=CCC=CCC=CCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O

Computed by PubChem (NCBI)