In-Silico Structure Database (LMISSD)
Common Name
CL(1'-[14:0/14:0],3'-[14:1(9Z)/14:0])
Systematic Name
1'-[1-2-di-tetradecanoyl-sn-glycero-3-phospho],3'-[1-(9Z-tetradecenoyl)-2-tetradecanoyl-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP12019AAT
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1238.831381
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphoglycerols [GP12]
Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201]
String Representations
InChiKey (Click to copy)
PTMKCINBVBDAPT-HHCGXTBISA-N
InChi (Click to copy)
InChI=1S/C65H124O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-62(67)75-55-60(81-64(69)51-47-43-39-35-31-27-23-19-15-11-7-3)57-79-83(71,72)77-53-59(66)54-78-84(73,74)80-58-61(82-65(70)52-48-44-40-36-32-28-24-20-16-12-8-4)56-76-63(68)50-46-42-38-34-30-26-22-18-14-10-6-2/h17,21,59-61,66H,5-16,18-20,22-58H2,1-4H3,(H,71,72)(H,73,74)/b21-17-/t59-,60+,61+/m0/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)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)(O)=O)=O