Structure Database (LMSD)

Common Name
(11Z)-eicosenoyl-CoA
Systematic Name
11Z-eicosenoyl-CoA
Synonyms
  • (11Z)-eicos-11-enoyl-CoA
  • (11Z)-eicosenoyl-coenzyme A
  • (11Z)-icosenoyl-CoA
  • (11Z)-icosenoyl-coenzyme A
  • 11cis-eicosenoyl-CoA
  • 11cis-eicosenoyl-coenzyme A
  • 11cis-icosenoyl-CoA
  • 11cis-icosenoyl-coenzyme A
  • CoA(20:1(11Z))
  • Eicosenoyl-CoA
  • Icosenoyl-CoA
LM ID
LMFA07050093
Formula
Exact Mass
Calculate m/z
1059.391834
Sum Composition
Status
Active

Classification

Reactions

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Reactions graph legend

String Representations

InChiKey (Click to copy)
ZDRKXADSROCWCG-FVLDFCIYSA-N
InChi (Click to copy)
InChI=1S/C41H72N7O17P3S/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/h11-12,28-30,34-36,40,51-52H,4-10,13-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b12-11-/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(CCCCCCCCC/C=C\CCCCCCCC)=O)C)O1)N1C=NC2C(N)=NC=NC1=2

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 69
Rings 3
Aromatic Rings 2
Rotatable Bonds 37
Van der Waals Molecular Volume 942.29
Topological Polar Surface Area 365.70
Hydrogen Bond Donors 9
Hydrogen Bond Acceptors 21
logP 8.73
Molar Refractivity 259.73

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Created at
-
Updated at
25th Apr 2022