In-Silico Structure database (LMISSD)
| |
LM ID | LMGP05029ABF |
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Common Name | PGP(O-14:0/20:2(5Z,8Z)) |
Systematic Name | 1-tetradecyl-2-(5Z,8Z-eicosadienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'- phosphate) |
Synonyms | PGP(O-34:2); PGP(O-14:0/20:2) |
Exact Mass | |
Formula | C40H78O12P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphates [GP05] |
Sub Class | 1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502] |
PubChem Compound ID (CID) | - |
InChIKey | YGQZXURAQPTGGI-DVFIMROESA-N |
InChI | InChI=1S/C40H78O12P2/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/h20-21,24,26,38-39,41H,3-19,22-23,25,27-37H2,1-2H3,(H,46,47)(H2,4 3,44,45)/b21-20-,26-24-/t38-,39+/m0/s1 |
SMILES | [C@]([H])(OC(CCC/C=C\C/C=C\CCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O) COCCCCCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |