In-Silico Structure Database (LMISSD)
Common Name
PGP(16:1(9Z)/38:0)
Systematic Name
1-(9Z-hexadecenoyl)-2-octatriacontanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05019AZL
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1108.804771
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
Diacylglycerophosphoglycerophosphates [GP0501]
String Representations
InChiKey (Click to copy)
CDIKIUBBWDQXAG-NLBLFSNLSA-N
InChi (Click to copy)
InChI=1S/C60H118O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-60(63)73-58(56-72-75(67,68)71-54-57(61)53-70-74(64,65)66)55-69-59(62)51-49-47-45-43-41-39-16-14-12-10-8-6-4-2/h14,16,57-58,61H,3-13,15,17-56H2,1-2H3,(H,67,68)(H2,64,65,66)/b16-14-/t57-,58+/m0/s1
SMILES (Click to copy)
[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCC)=O)(=O)O