In-Silico Structure Database (LMISSD)
Common Name
PGP(P-18:1(9Z)/39:0)
Systematic Name
1-(1Z,9Z-octadecadienyl)-2-nonatriacontanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05039AN3
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1134.856806
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-(1Z-alkenyl),2-acylglycerophosphoglycerophosphates [GP0503]
String Representations
InChiKey (Click to copy)
TVPXVOYOGFBKBS-COKKAUBBSA-N
InChi (Click to copy)
InChI=1S/C63H124O12P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-43-45-47-49-51-53-55-63(65)75-62(60-74-77(69,70)73-58-61(64)57-72-76(66,67)68)59-71-56-54-52-50-48-46-44-42-20-18-16-14-12-10-8-6-4-2/h18,20,54,56,61-62,64H,3-17,19,21-53,55,57-60H2,1-2H3,(H,69,70)(H2,66,67,68)/b20-18-,56-54-/t61-,62+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)CO/C=C\CCCCCC/C=C\CCCCCCCC