In-Silico Structure Database (LMISSD)
Common Name
PGP(O-14:0/13:0)
Systematic Name
1-tetradecyl-2-tridecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05029AAD
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
718.418606
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502]
String Representations
InChiKey (Click to copy)
RUSODNKSCCWVQW-AJQTZOPKSA-N
InChi (Click to copy)
InChI=1S/C33H68O12P2/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-41-29-32(30-44-47(39,40)43-28-31(34)27-42-46(36,37)38)45-33(35)25-23-21-19-17-14-12-10-8-6-4-2/h31-32,34H,3-30H2,1-2H3,(H,39,40)(H2,36,37,38)/t31-,32+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)COCCCCCCCCCCCCCC