In-Silico Structure Database (LMISSD)
Common Name
PGP(20:1(11E)/27:0)
Systematic Name
1-(11E-eicosenoyl)-2-heptacosanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05019CM8
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1010.695221
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
Diacylglycerophosphoglycerophosphates [GP0501]
String Representations
InChiKey (Click to copy)
YHVFSZWLZFADSC-BDMBIICNSA-N
InChi (Click to copy)
InChI=1S/C53H104O13P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-29-31-33-35-37-39-41-43-45-53(56)66-51(49-65-68(60,61)64-47-50(54)46-63-67(57,58)59)48-62-52(55)44-42-40-38-36-34-32-30-28-20-18-16-14-12-10-8-6-4-2/h18,20,50-51,54H,3-17,19,21-49H2,1-2H3,(H,60,61)(H2,57,58,59)/b20-18+/t50-,51+/m0/s1
SMILES (Click to copy)
[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCC/C=C/CCCCCCCC)=O)(=O)O