In-Silico Structure Database (LMISSD)
Common Name
CL(1'-[14:0/14:0],3'-[14:0/24:0])
Systematic Name
1'-[1-2-di-tetradecanoyl-sn-glycero-3-phospho],3'-[1-tetradecanoyl-2-tetracosanoyl-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP12019AAR
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1381.003531
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphoglycerols [GP12]
Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201]
String Representations
InChiKey (Click to copy)
BHZZBTZOABAIIV-UMRXOVFLSA-N
InChi (Click to copy)
InChI=1S/C75H146O17P2/c1-5-9-13-17-21-25-29-30-31-32-33-34-35-36-37-38-42-46-50-54-58-62-75(80)92-71(66-86-73(78)60-56-52-48-44-40-27-23-19-15-11-7-3)68-90-94(83,84)88-64-69(76)63-87-93(81,82)89-67-70(91-74(79)61-57-53-49-45-41-28-24-20-16-12-8-4)65-85-72(77)59-55-51-47-43-39-26-22-18-14-10-6-2/h69-71,76H,5-68H2,1-4H3,(H,81,82)(H,83,84)/t69-,70-,71-/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)CCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)(O)=O)=O