In-Silico Structure Database (LMISSD)
Common Name
CL(1'-[14:0/14:1(9Z)],3'-[16:0/18:3(6Z,9Z,12Z)])
Systematic Name
1'-[1-tetradecanoyl-2-(9Z-tetradecenoyl)-sn-glycero-3-phospho],3'-[1-hexadecanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP12019ALK
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1316.878331
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphoglycerols [GP12]
Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201]
String Representations
InChiKey (Click to copy)
ABETXYJUCRGDSM-NEPSLSNKSA-N
InChi (Click to copy)
InChI=1S/C71H130O17P2/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/h20-21,24-25,31-32,38,42,65-67,72H,5-19,22-23,26-30,33-37,39-41,43-64H2,1-4H3,(H,77,78)(H,79,80)/b24-20-,25-21-,32-31-,42-38-/t65-,66-,67-/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)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCC)(O)=O)=O