Structure Database (LMSD)

Common Name
Arachidonyl-CoA
Systematic Name
5Z,8Z,11Z,14Z-eicosatetraenoyl-CoA
Synonyms
  • (5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraenoyl-CoA
  • (5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraenoyl-coenzyme A
  • (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyl-coenzyme A
  • C20:4-CoA
  • all-cis-5,8,11,14-eicosatetraenoyl-CoA
  • all-cis-5,8,11,14-eicosatetraenoyl-coenzyme A
  • arachidonoyl-coenzyme A
  • arachidonyl-coenzyme A
  • cis-Delta(5,8,11,14)-eicosatetraenoyl-CoA
  • cis-Delta(5,8,11,14)-eicosatetraenoyl-coenzyme A
LM ID
LMFA07050288
Status
Active
Exact Mass
Calculate m/z
1053.344884
Formula
Abbrev


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MDLMOL SDF CSV TSV
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Main

Classification

String Representations

InChiKey (Click to copy)
JDEPVTUUCBFJIW-YQVDHACTSA-N
InChi (Click to copy)
InChI=1S/C41H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,14-15,17-18,28-30,34-36,40,51-52H,4-7,10,13,16,19-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b9-8-,12-11-,15-14-,18-17-/t30-,34-,35-,36+,40-/m1/s1
SMILES (Click to copy)
[C@@H]1([C@H](O)[C@H](OP(=O)(O)O)[C@@H](COP(O)(=O)OP(O)(=O)OCC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)C)O1)N1C=NC2C(N)=NC=NC1=2

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 69
Rings 3
Aromatic Rings 2
Rotatable Bonds 34
Van der Waals Molecular Volume 934.37
Topological Polar Surface Area 365.70
Hydrogen Bond Donors 9
Hydrogen Bond Acceptors 21
logP 8.06
Molar Refractivity 259.45

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Created at
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Updated at
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