In-Silico Structure Database (LMISSD)
Common Name
CL(1'-[14:0/14:1(9Z)],3'-[16:0/16:0])
Systematic Name
1'-[1-tetradecanoyl-2-(9Z-tetradecenoyl)-sn-glycero-3-phospho],3'-[1-2-di-hexadecanoyl-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP12019ALF
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1294.893981
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphoglycerols [GP12]
Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201]
String Representations
InChiKey (Click to copy)
CBNNIJGTYOGURB-ZUZNSKSESA-N
InChi (Click to copy)
InChI=1S/C69H132O17P2/c1-5-9-13-17-21-25-29-31-35-38-42-46-50-54-67(72)80-60-65(86-69(74)56-52-48-44-40-36-32-30-26-22-18-14-10-6-2)62-84-88(77,78)82-58-63(70)57-81-87(75,76)83-61-64(85-68(73)55-51-47-43-39-34-28-24-20-16-12-8-4)59-79-66(71)53-49-45-41-37-33-27-23-19-15-11-7-3/h20,24,63-65,70H,5-19,21-23,25-62H2,1-4H3,(H,75,76)(H,77,78)/b24-20-/t63-,64-,65-/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)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(O)=O)=O