Structure Database (LMSD)

Common Name
gamma-linolenoyl-CoA
Systematic Name
6Z,9Z,12Z-octadecatrienoyl-CoA
Synonyms
  • (6Z,9Z,12Z)-6,9,12-octadecatrienoyl-CoA
  • (Z,Z,Z)-6,9,12-octadecatrienoyl-CoA
  • (Z,Z,Z)-6,9,12-octadecatrienoyl-coenzyme A
  • 6-cis,9-cis,12-cis-octadecatrienoyl-CoA
  • 6-cis,9-cis,12-cis-octadecatrienoyl-coenzyme A
  • GLA-CoA
  • gamma-linolenoyl-coenzyme A
  • gamolenoyl-CoA
LM ID
LMFA07050322
Status
Active
Exact Mass
Calculate m/z
1027.329234
Formula
Abbrev


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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
XZQYPTBYQYZGRU-FHDVEODPSA-N
InChi (Click to copy)
InChI=1S/C39H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h8-9,11-12,14-15,26-28,32-34,38,49-50H,4-7,10,13,16-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b9-8-,12-11-,15-14-/t28-,32-,33-,34+,38-/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(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)C)O1)N1C=NC2C(N)=NC=NC1=2

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 67
Rings 3
Aromatic Rings 2
Rotatable Bonds 33
Van der Waals Molecular Volume 902.41
Topological Polar Surface Area 365.70
Hydrogen Bond Donors 9
Hydrogen Bond Acceptors 21
logP 7.51
Molar Refractivity 250.31

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Created at
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Updated at
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