In-Silico Structure Database (LMISSD)
Common Name
PGP(P-14:0/14:1(9Z))
Systematic Name
1-(1Z-tetradecenyl)-2-(9Z-tetradecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05039DDK
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
728.402956
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-(1Z-alkenyl),2-acylglycerophosphoglycerophosphates [GP0503]
String Representations
InChiKey (Click to copy)
BDCIITMJKKTLAZ-KKBZYDOKSA-N
InChi (Click to copy)
InChI=1S/C34H66O12P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-42-30-33(31-45-48(40,41)44-29-32(35)28-43-47(37,38)39)46-34(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h10,12,25,27,32-33,35H,3-9,11,13-24,26,28-31H2,1-2H3,(H,40,41)(H2,37,38,39)/b12-10-,27-25-/t32-,33+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)CO/C=C\CCCCCCCCCCCC