In-Silico Structure Database (LMISSD)
Common Name
PGP(P-22:1(9Z)/18:4(9E,11E,13E,15E))
Systematic Name
1-(1Z,9Z-docosenyl)-2-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05039A0K
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
888.528156
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-(1Z-alkenyl),2-acylglycerophosphoglycerophosphates [GP0503]
String Representations
InChiKey (Click to copy)
VXVJIWAMARSKTR-SESMKRJXSA-N
InChi (Click to copy)
InChI=1S/C46H82O12P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39-54-42-45(43-57-60(52,53)56-41-44(47)40-55-59(49,50)51)58-46(48)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h6,8,10,12,14,16,18,22-24,37,39,44-45,47H,3-5,7,9,11,13,15,17,19-21,25-36,38,40-43H2,1-2H3,(H,52,53)(H2,49,50,51)/b8-6+,12-10+,16-14+,23-22-,24-18+,39-37-/t44-,45+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)CO/C=C\CCCCCC/C=C\CCCCCCCCCCCC