In-Silico Structure database (LMISSD)
| |
LM ID | LMGP05039DEM |
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Common Name | PGP(P-14:0/20:3(8Z,11Z,14Z)) |
Systematic Name | 1-(1Z-tetradecenyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phospho-(1'-sn- glycerol-3'-phosphate) |
Synonyms | PGP(P-34:3); PGP(P-14:0/20:3) |
Exact Mass | |
Formula | C40H74O12P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphates [GP05] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoglycerophosphates [GP0503] |
PubChem Compound ID (CID) | - |
InChIKey | HQQRXZSLAVBWKL-WWPOBQRKSA-N |
InChI | InChI=1S/C40H74O12P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-40(42) 52-39(37-51-54(46,47)50-35-38(41)34-49-53(43,44)45)36-48-33-31-29-27-25-23-16-14 -12-10-8-6-4-2/h11,13,17-18,20-21,31,33,38-39,41H,3-10,12,14-16,19,22-30,32,34-3 7H2,1-2H3,(H,46,47)(H2,43,44,45)/b13-11-,18-17-,21-20-,33-31-/t38-,39+/m0/s1 |
SMILES | [C@]([H])(OC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O) =O)CO/C=C\CCCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |