In-Silico Structure Database (LMISSD)
Common Name
PGP(31:0/20:1(13Z))
Systematic Name
1-hentriacontanoyl-2-(13Z-eicosenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05019E1Z
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1066.757821
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
Diacylglycerophosphoglycerophosphates [GP0501]
String Representations
InChiKey (Click to copy)
QWOWFCNFVNZGDL-SAEICHFXSA-N
InChi (Click to copy)
InChI=1S/C57H112O13P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-33-34-36-38-40-42-44-46-48-56(59)66-52-55(53-69-72(64,65)68-51-54(58)50-67-71(61,62)63)70-57(60)49-47-45-43-41-39-37-35-32-20-18-16-14-12-10-8-6-4-2/h14,16,54-55,58H,3-13,15,17-53H2,1-2H3,(H,64,65)(H2,61,62,63)/b16-14-/t54-,55+/m0/s1
SMILES (Click to copy)
[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(=O)O