In-Silico Structure Database (LMISSD)
Common Name
PGP(39:0/18:1(11Z))
Systematic Name
1-nonatriacontanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05019FJS
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1150.851721
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
Diacylglycerophosphoglycerophosphates [GP0501]
String Representations
InChiKey (Click to copy)
SYZILHJPFSCYGE-GRXYPAODSA-N
InChi (Click to copy)
InChI=1S/C63H124O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-42-44-46-48-50-52-54-62(65)72-58-61(59-75-78(70,71)74-57-60(64)56-73-77(67,68)69)76-63(66)55-53-51-49-47-45-43-40-18-16-14-12-10-8-6-4-2/h14,16,60-61,64H,3-13,15,17-59H2,1-2H3,(H,70,71)(H2,67,68,69)/b16-14-/t60-,61+/m0/s1
SMILES (Click to copy)
[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(=O)O