In-Silico Structure Database (LMISSD)
Common Name
PGP(16:1(9Z)/37:0)
Systematic Name
1-(9Z-hexadecenoyl)-2-heptatriacontanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05019AZK
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1094.789121
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
Diacylglycerophosphoglycerophosphates [GP0501]
String Representations
InChiKey (Click to copy)
GZMJTPTUVUEIMZ-UCPNOTJGSA-N
InChi (Click to copy)
InChI=1S/C59H116O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-59(62)72-57(55-71-74(66,67)70-53-56(60)52-69-73(63,64)65)54-68-58(61)50-48-46-44-42-40-38-16-14-12-10-8-6-4-2/h14,16,56-57,60H,3-13,15,17-55H2,1-2H3,(H,66,67)(H2,63,64,65)/b16-14-/t56-,57+/m0/s1
SMILES (Click to copy)
[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCC)=O)(=O)O