In-Silico Structure Database (LMISSD)
Common Name
PGP(P-18:1(9Z)/36:0)
Systematic Name
1-(1Z,9Z-octadecadienyl)-2-hexatriacontanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05039AN0
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1092.809856
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-(1Z-alkenyl),2-acylglycerophosphoglycerophosphates [GP0503]
String Representations
InChiKey (Click to copy)
QWNWXWASLAITRT-UUNUFUEMSA-N
InChi (Click to copy)
InChI=1S/C60H118O12P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-60(62)72-59(57-71-74(66,67)70-55-58(61)54-69-73(63,64)65)56-68-53-51-49-47-45-43-41-39-20-18-16-14-12-10-8-6-4-2/h18,20,51,53,58-59,61H,3-17,19,21-50,52,54-57H2,1-2H3,(H,66,67)(H2,63,64,65)/b20-18-,53-51-/t58-,59+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)CO/C=C\CCCCCC/C=C\CCCCCCCC