In-Silico Structure Database (LMISSD)
Common Name
PGP(39:0/27:0)
Systematic Name
1-nonatriacontanoyl-2-heptacosanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05019FLA
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1279.008221
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
Diacylglycerophosphoglycerophosphates [GP0501]
String Representations
InChiKey (Click to copy)
QZKDQDUFGUGBQS-NUYXUUSISA-N
InChi (Click to copy)
InChI=1S/C72H144O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-31-32-33-34-35-36-37-38-39-40-42-43-45-47-49-51-53-55-57-59-61-63-71(74)81-67-70(68-84-87(79,80)83-66-69(73)65-82-86(76,77)78)85-72(75)64-62-60-58-56-54-52-50-48-46-44-41-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h69-70,73H,3-68H2,1-2H3,(H,79,80)(H2,76,77,78)/t69-,70+/m0/s1
SMILES (Click to copy)
[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(=O)O