In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP12019ABM
Common NameCL(1'-[14:0/14:0],3'-[16:0/20:1(11Z)])
Systematic Name1'-[1-2-di-tetradecanoyl-sn-glycero-3-phospho],3'-[1-hexadecanoyl-2-(11Z-
eicosenoyl)-sn-glycero-3-phospho]-sn-glycerol
SynonymsCL(64:1); CL(14:0_14:0_16:0_20:1)
Exact Mass
1350.9566 (neutral)    Calculate m/z:
FormulaC73H140O17P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerophosphoglycerols [GP12]
Sub ClassDiacylglycerophosphoglycerophosphodiradylglycerols [GP1201]
PubChem Compound ID (CID)-
InChIKeyNRTXEKIFFHQCGT-MTHQMGJVSA-N
InChIInChI=1S/C73H140O17P2/c1-5-9-13-17-21-25-29-31-32-33-34-36-40-44-48-52-56-60-73(
78)90-69(64-84-71(76)58-54-50-46-42-39-35-30-26-22-18-14-10-6-2)66-88-92(81,82)8
6-62-67(74)61-85-91(79,80)87-65-68(89-72(77)59-55-51-47-43-38-28-24-20-16-12-8-4
)63-83-70(75)57-53-49-45-41-37-27-23-19-15-11-7-3/h31-32,67-69,74H,5-30,33-66H2,
1-4H3,(H,79,80)(H,81,82)/b32-31-/t67-,68-,69-/m1/s1
SMILESP(OC[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[
C@]([H])(OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(O)=O)=O
MS Spectra-     
StatusActive (generated by computational methods)