In-Silico Structure Database (LMISSD)
Common Name
PGP(27:0/36:0)
Systematic Name
1-heptacosanoyl-2-hexatriacontanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05019ETV
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1236.961271
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
Diacylglycerophosphoglycerophosphates [GP0501]
String Representations
InChiKey (Click to copy)
GASZGFQKRVMKDO-WAASQAOBSA-N
InChi (Click to copy)
InChI=1S/C69H138O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-53-55-57-59-61-69(72)82-67(65-81-84(76,77)80-63-66(70)62-79-83(73,74)75)64-78-68(71)60-58-56-54-52-50-48-46-44-42-40-38-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h66-67,70H,3-65H2,1-2H3,(H,76,77)(H2,73,74,75)/t66-,67+/m0/s1
SMILES (Click to copy)
[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(=O)O