In-Silico Structure Database (LMISSD)
Common Name
CL(1'-[14:0/14:1(9Z)],3'-[16:1(9Z)/14:1(9Z)])
Systematic Name
1'-[1-tetradecanoyl-2-(9Z-tetradecenoyl)-sn-glycero-3-phospho],3'-[1-(9Z-hexadecenoyl)-2-(9Z-tetradecenoyl)-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP12019ALX
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1262.831381
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphoglycerols [GP12]
Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201]
String Representations
InChiKey (Click to copy)
PENSLALQDCVLBK-QXUYARHWSA-N
InChi (Click to copy)
InChI=1S/C67H124O17P2/c1-5-9-13-17-21-25-29-30-34-36-40-44-48-52-65(70)78-58-63(84-67(72)54-50-46-42-38-33-28-24-20-16-12-8-4)60-82-86(75,76)80-56-61(68)55-79-85(73,74)81-59-62(83-66(71)53-49-45-41-37-32-27-23-19-15-11-7-3)57-77-64(69)51-47-43-39-35-31-26-22-18-14-10-6-2/h19-20,23-25,29,61-63,68H,5-18,21-22,26-28,30-60H2,1-4H3,(H,73,74)(H,75,76)/b23-19-,24-20-,29-25-/t61-,62-,63-/m1/s1
SMILES (Click to copy)
P(OC[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)COC(CCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(O)=O)=O