In-Silico Structure database (LMISSD)
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LM ID | LMGP05029AK5 |
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Common Name | PGP(O-16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) |
Systematic Name | 1-(9Z-hexadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3- phospho-(1'-sn-glycerol-3'-phosphate) |
Synonyms | PGP(O-38:7); PGP(O-16:1/22:6) |
Exact Mass | |
Formula | C44H76O12P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphates [GP05] |
Sub Class | 1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502] |
PubChem Compound ID (CID) | - |
InChIKey | PLOWFFUKWXSQAB-GUVFYEAISA-N |
InChI | InChI=1S/C44H76O12P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36- 44(46)56-43(41-55-58(50,51)54-39-42(45)38-53-57(47,48)49)40-52-37-35-33-31-29-27 -25-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,21-22,24,26,30,32,42-43,45H,3- 4,6,8-10,12,15,18,20,23,25,27-29,31,33-41H2,1-2H3,(H,50,51)(H2,47,48,49)/b7-5-,1 3-11-,16-14-,19-17-,22-21-,26-24-,32-30-/t42-,43+/m0/s1 |
SMILES | [C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)(COP(=O)(O)OC[C@@]([H])( O)COP(O)(O)=O)COCCCCCCCC/C=C\CCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |