In-Silico Structure Database (LMISSD)
Common Name
PGP(P-22:1(9Z)/16:1(9Z))
Systematic Name
1-(1Z,9Z-docosenyl)-2-(9Z-hexadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05039AZX
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
866.543806
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-(1Z-alkenyl),2-acylglycerophosphoglycerophosphates [GP0503]
String Representations
InChiKey (Click to copy)
AFVZZAGFFKVHRE-QGGYKULDSA-N
InChi (Click to copy)
InChI=1S/C44H84O12P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-52-40-43(41-55-58(50,51)54-39-42(45)38-53-57(47,48)49)56-44(46)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h14,16,21-22,35,37,42-43,45H,3-13,15,17-20,23-34,36,38-41H2,1-2H3,(H,50,51)(H2,47,48,49)/b16-14-,22-21-,37-35-/t42-,43+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C\CCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)CO/C=C\CCCCCC/C=C\CCCCCCCCCCCC