In-Silico Structure database (LMISSD)
| |
LM ID | LMGP05029APH |
---|---|
Common Name | PGP(O-18:1(11Z)/20:4(7E,10E,13E,16E)) |
Systematic Name | 1-(11Z-octadecenyl)-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3-phospho- (1'-sn-glycerol-3'-phosphate) |
Synonyms | PGP(O-38:5); PGP(O-18:1/20:4) |
Exact Mass | |
Formula | C44H80O12P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphates [GP05] |
Sub Class | 1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502] |
PubChem Compound ID (CID) | - |
InChIKey | APPKKIRYYORUIV-ARYLGYQCSA-N |
InChI | InChI=1S/C44H80O12P2/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/h7,9,13-16,19,21,24,26,42-43,45H,3-6,8,10-12,17-18,20 ,22-23,25,27-41H2,1-2H3,(H,50,51)(H2,47,48,49)/b9-7+,15-13+,16-14-,21-19+,26-24+ /t42-,43+/m0/s1 |
SMILES | [C@]([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O) (O)=O)COCCCCCCCCCC/C=C\CCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |