In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP12019AA6
Common NameCL(1'-[14:0/14:0],3'-[14:1(9Z)/22:0])
Systematic Name1'-[1-2-di-tetradecanoyl-sn-glycero-3-phospho],3'-[1-(9Z-tetradecenoyl)-2-
docosanoyl-sn-glycero-3-phospho]-sn-glycerol
SynonymsCL(64:1); CL(14:0_14:0_14:1_22:0)
Exact Mass
1350.9566 (neutral)    Calculate m/z:
FormulaC73H140O17P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerophosphoglycerols [GP12]
Sub ClassDiacylglycerophosphoglycerophosphodiradylglycerols [GP1201]
PubChem Compound ID (CID)-
InChIKeyMSAGSCNXOCXARV-SACOPHJUSA-N
InChIInChI=1S/C73H140O17P2/c1-5-9-13-17-21-25-29-30-31-32-33-34-35-36-40-44-48-52-56-
60-73(78)90-69(64-84-71(76)58-54-50-46-42-38-27-23-19-15-11-7-3)66-88-92(81,82)8
6-62-67(74)61-85-91(79,80)87-65-68(89-72(77)59-55-51-47-43-39-28-24-20-16-12-8-4
)63-83-70(75)57-53-49-45-41-37-26-22-18-14-10-6-2/h19,23,67-69,74H,5-18,20-22,24
-66H2,1-4H3,(H,79,80)(H,81,82)/b23-19-/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)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)(O)=O)=O
MS Spectra-     
StatusActive (generated by computational methods)