In-Silico Structure database (LMISSD)

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LM IDLMGP12019ABI
Common NameCL(1'-[14:0/14:0],3'-[16:0/18:2(9Z,12Z)])
Systematic Name1'-[1-2-di-tetradecanoyl-sn-glycero-3-phospho],3'-[1-hexadecanoyl-2-(9Z,12Z-
octadecadienoyl)-sn-glycero-3-phospho]-sn-glycerol
SynonymsCL(62:2); CL(14:0_14:0_16:0_18:2)
Exact Mass
1320.9096 (neutral)    Calculate m/z:
FormulaC71H134O17P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerophosphoglycerols [GP12]
Sub ClassDiacylglycerophosphoglycerophosphodiradylglycerols [GP1201]
PubChem Compound ID (CID)-
InChIKeyWUQPVQRFVYCMPB-DUZKFIRESA-N
InChIInChI=1S/C71H134O17P2/c1-5-9-13-17-21-25-29-31-32-34-38-42-46-50-54-58-71(76)88-
67(62-82-69(74)56-52-48-44-40-37-33-30-26-22-18-14-10-6-2)64-86-90(79,80)84-60-6
5(72)59-83-89(77,78)85-63-66(87-70(75)57-53-49-45-41-36-28-24-20-16-12-8-4)61-81
-68(73)55-51-47-43-39-35-27-23-19-15-11-7-3/h21,25,31-32,65-67,72H,5-20,22-24,26
-30,33-64H2,1-4H3,(H,77,78)(H,79,80)/b25-21-,32-31-/t65-,66-,67-/m1/s1
SMILESP(OC[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[
C@]([H])(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCC)(O)=O)=O
MS Spectra-     
StatusActive (generated by computational methods)