In-Silico Structure database (LMISSD)
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LM ID | LMGP05039AM1 |
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Common Name | PGP(P-18:1(9Z)/20:4(5E,8E,11E,14E)) |
Systematic Name | 1-(1Z,9Z-octadecadienyl)-2-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycero-3- phospho-(1'-sn-glycerol-3'-phosphate) |
Synonyms | PGP(P-38:5); PGP(P-18:1/20:4) |
Exact Mass | |
Formula | C44H78O12P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphates [GP05] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoglycerophosphates [GP0503] |
PubChem Compound ID (CID) | - |
InChIKey | RMDPGRDJTDHOSU-ZBJGPRLBSA-N |
InChI | InChI=1S/C44H78O12P2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-44(46) 56-43(41-55-58(50,51)54-39-42(45)38-53-57(47,48)49)40-52-37-35-33-31-29-27-25-23 -20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,28,30,35,37,42-43,45H,3-10,12,14-1 6,21,23,25-27,29,31-34,36,38-41H2,1-2H3,(H,50,51)(H2,47,48,49)/b13-11+,19-17+,20 -18-,24-22+,30-28+,37-35-/t42-,43+/m0/s1 |
SMILES | [C@]([H])(OC(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O) (O)=O)CO/C=C\CCCCCC/C=C\CCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |