In-Silico Structure Database (LMISSD)
Common Name
CL(1'-[14:0/14:0],3'-[14:0/18:2(9Z,12Z)])
Systematic Name
1'-[1-2-di-tetradecanoyl-sn-glycero-3-phospho],3'-[1-tetradecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP12019AAG
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1292.878331
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphoglycerols [GP12]
Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201]
String Representations
InChiKey (Click to copy)
WBGAELAGCVXGGU-VFCGJUNGSA-N
InChi (Click to copy)
InChI=1S/C69H130O17P2/c1-5-9-13-17-21-25-29-30-31-32-36-40-44-48-52-56-69(74)86-65(60-80-67(72)54-50-46-42-38-34-27-23-19-15-11-7-3)62-84-88(77,78)82-58-63(70)57-81-87(75,76)83-61-64(85-68(73)55-51-47-43-39-35-28-24-20-16-12-8-4)59-79-66(71)53-49-45-41-37-33-26-22-18-14-10-6-2/h21,25,30-31,63-65,70H,5-20,22-24,26-29,32-62H2,1-4H3,(H,75,76)(H,77,78)/b25-21-,31-30-/t63-,64-,65-/m1/s1
SMILES (Click to copy)
P(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)CCCCCCCCCCCCC)(O)=O)=O