In-Silico Structure Database (LMISSD)
Common Name
PGP(18:1(9E)/33:0)
Systematic Name
1-(9E-octadecenoyl)-2-tritriacontanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05019BQ4
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1066.757821
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
Diacylglycerophosphoglycerophosphates [GP0501]
String Representations
InChiKey (Click to copy)
GNVBDZSCPQPXEU-VYNHIYMASA-N
InChi (Click to copy)
InChI=1S/C57H112O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-37-39-41-43-45-47-49-57(60)70-55(53-69-72(64,65)68-51-54(58)50-67-71(61,62)63)52-66-56(59)48-46-44-42-40-38-36-34-18-16-14-12-10-8-6-4-2/h18,34,54-55,58H,3-17,19-33,35-53H2,1-2H3,(H,64,65)(H2,61,62,63)/b34-18+/t54-,55+/m0/s1
SMILES (Click to copy)
[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C/CCCCCCCC)=O)(=O)O