linoleoyl-CoA

Base Information

• Chemical Name: linoleoyl-CoA
• CAS No.: 6709-57-5
• Molecular Formula: C39H66N7O17P3S
• Molecular Weight: 1029.96
• DSSTox Substance ID: DTXSID10420558
• Nikkaji Number: J527.008A
• Wikidata: Q27098082
• Metabolomics Workbench ID: 50142
• Mol file: 6709-57-5.mol

Synonyms:coenzyme A, linoleoyl-;coenzyme A, S-9,12-octadecadienoate, (Z,Z);linoleoyl-CoA;linoleoyl-coenzyme A;linoleoyl-coenzyme A, (E,E)-isomer;linoleoyl-coenzyme A, (E,Z)-isomer;linoleoyl-coenzyme A, (Z,Z)-isomer;linoleoyl-coenzyme A, octadecadienoate-1-(14)C-labeled, (Z,Z)-isomer

Chemical Property of linoleoyl-CoA

Chemical Property:

• Refractive Index: 1.626
• PSA: 418.36000
• Density: 1.51 g/cm³
• LogP: 5.84120
• Storage Temp.: Store at 0°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 34
• Exact Mass: 1029.34487583
• Heavy Atom Count: 67
• Complexity: 1750

Purity/Quality:

98%Min ^*data from raw suppliers

Linoleoyl coenzyme A ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC=CCC=CCCCCCCCC(=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
• Isomeric SMILES: CCCCC/C=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

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