In-Silico Structure database (LMISSD)
| |
LM ID | LMGP04029ARR |
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Common Name | PG(O-18:1(9Z)/20:4(6E,8Z,11Z,14Z)) |
Systematic Name | 1-(9Z-octadecenyl)-2-(6E,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho-(1'- sn-glycerol) |
Synonyms | PG(O-38:5); PG(O-18:1/20:4) |
Exact Mass | |
Formula | C44H79O9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerols [GP04] |
Sub Class | 1-alkyl,2-acylglycerophosphoglycerols [GP0402] |
PubChem Compound ID (CID) | - |
InChIKey | AJJOZNWKJXHPAT-QVULPXFTSA-N |
InChI | InChI=1S/C44H79O9P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-44(47)53 -43(41-52-54(48,49)51-39-42(46)38-45)40-50-37-35-33-31-29-27-25-23-20-18-16-14-1 2-10-8-6-4-2/h11,13,17-20,22,24,26,28,42-43,45-46H,3-10,12,14-16,21,23,25,27,29- 41H2,1-2H3,(H,48,49)/b13-11-,19-17-,20-18-,24-22-,28-26+/t42-,43+/m0/s1 |
SMILES | [C@]([H])(OC(CCCC/C=C/C=C\C/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)COCC CCCCCC/C=C\CCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |