In-Silico Structure Database (LMISSD)
Common Name
CL(1'-[14:0/14:0],3'-[16:0/18:1(9Z)])
Systematic Name
1'-[1-2-di-tetradecanoyl-sn-glycero-3-phospho],3'-[1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP12019ABH
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1322.925281
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphoglycerols [GP12]
Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201]
String Representations
InChiKey (Click to copy)
WPSHACCJQCVSPX-BONREKRLSA-N
InChi (Click to copy)
InChI=1S/C71H136O17P2/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)84-60-65(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/h31-32,65-67,72H,5-30,33-64H2,1-4H3,(H,77,78)(H,79,80)/b32-31-/t65-,66-,67-/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\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(O)=O)=O