In-Silico Structure Database (LMISSD)
Common Name
PGP(17:1(9Z)/31:0)
Systematic Name
1-(9Z-heptadecenoyl)-2-hentriacontanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05019A30
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1024.710871
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
Diacylglycerophosphoglycerophosphates [GP0501]
String Representations
InChiKey (Click to copy)
CELIYMCMUGJGOR-YUEVSVCFSA-N
InChi (Click to copy)
InChI=1S/C54H106O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-54(57)67-52(50-66-69(61,62)65-48-51(55)47-64-68(58,59)60)49-63-53(56)45-43-41-39-37-35-33-18-16-14-12-10-8-6-4-2/h16,18,51-52,55H,3-15,17,19-50H2,1-2H3,(H,61,62)(H2,58,59,60)/b18-16-/t51-,52+/m0/s1
SMILES (Click to copy)
[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCCC)=O)(=O)O