In-Silico Structure database (LMISSD)
| |
LM ID | LMGP04039AQR |
---|---|
Common Name | PG(P-20:1(11Z)/17:1(9Z)) |
Systematic Name | 1-(1Z,11Z-eicosadienyl)-2-(9Z-heptadecenoyl)-sn-glycero-3-phospho-(1'-sn- glycerol) |
Synonyms | PG(P-37:2); PG(P-20:1/17:1) |
Exact Mass | |
Formula | C43H81O9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerols [GP04] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoglycerols [GP0403] |
PubChem Compound ID (CID) | - |
InChIKey | QHDAGCAXZPAKSF-PAQQIYIGSA-N |
InChI | InChI=1S/C43H81O9P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-49-39 -42(40-51-53(47,48)50-38-41(45)37-44)52-43(46)35-33-31-29-27-25-23-18-16-14-12-1 0-8-6-4-2/h16-19,34,36,41-42,44-45H,3-15,20-33,35,37-40H2,1-2H3,(H,47,48)/b18-16 -,19-17-,36-34-/t41-,42+/m0/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)CO/C=C\CCCCCCCC /C=C\CCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |