In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP12019N7R
Common NameCL(1'-[16:0/20:5(5Z,8Z,11Z,14Z,17Z)],3'-[14:0/16:1(9Z)])
Systematic Name1'-[1-hexadecanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-
phospho],3'-[1-tetradecanoyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phospho]-sn-
glycerol
SynonymsCL(66:6); CL(14:0_16:0_16:1_20:5)
Exact Mass
1368.9096 (neutral)    Calculate m/z:
FormulaC75H134O17P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerophosphoglycerols [GP12]
Sub ClassDiacylglycerophosphoglycerophosphodiradylglycerols [GP1201]
PubChem Compound ID (CID)-
InChIKeyJLLDYKZUTJKEOS-QOJBJQGISA-N
InChIInChI=1S/C75H134O17P2/c1-5-9-13-17-21-25-29-32-33-34-35-38-42-46-50-54-58-62-75(
80)92-71(66-86-73(78)60-56-52-48-44-40-36-30-26-22-18-14-10-6-2)68-90-94(83,84)8
8-64-69(76)63-87-93(81,82)89-67-70(65-85-72(77)59-55-51-47-43-39-28-24-20-16-12-
8-4)91-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3/h9,13,21,25,27,31-33,35,
38,46,50,69-71,76H,5-8,10-12,14-20,22-24,26,28-30,34,36-37,39-45,47-49,51-68H2,1
-4H3,(H,81,82)(H,83,84)/b13-9-,25-21-,31-27-,33-32-,38-35-,50-46-/t69-,70+,71+/m
0/s1
SMILESP(OC[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCCCCC)=O)(O
)(OC[C@](O)([H])COP(OC[C@]([H])(OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCC)(O
)=O)=O
MS Spectra-     
StatusActive (generated by computational methods)