In-Silico Structure Database (LMISSD)
Common Name
CL(1'-[14:0/14:0],3'-[16:0/14:0])
Systematic Name
1'-[1-2-di-tetradecanoyl-sn-glycero-3-phospho],3'-[1-hexadecanoyl-2-tetradecanoyl-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP12019ABC
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1268.878331
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphoglycerols [GP12]
Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201]
String Representations
InChiKey (Click to copy)
ICBSLBKCEOELRR-PCIYNCTBSA-N
InChi (Click to copy)
InChI=1S/C67H130O17P2/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/h61-63,68H,5-60H2,1-4H3,(H,73,74)(H,75,76)/t61-,62-,63-/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)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(O)=O)=O