In-Silico Structure database (LMISSD)
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LM ID | LMGP10029API |
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Common Name | PA(O-18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) |
Systematic Name | 1-(11Z-octadecenyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3- phosphate |
Synonyms | PA(O-38:6); PA(O-18:1/20:5) |
Exact Mass | |
Formula | C41H71O7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphates [GP10] |
Sub Class | 1-alkyl,2-acylglycerophosphates [GP1002] |
PubChem Compound ID (CID) | - |
InChIKey | GVRIMUPPLBQPJW-OBNCBQTESA-N |
InChI | InChI=1S/C41H71O7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-41(42)48 -40(39-47-49(43,44)45)38-46-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5 ,7,11,13-14,16-17,19,22,24,28,30,40H,3-4,6,8-10,12,15,18,20-21,23,25-27,29,31-39 H2,1-2H3,(H2,43,44,45)/b7-5-,13-11-,16-14-,19-17-,24-22-,30-28-/t40-/m1/s1 |
SMILES | [C@](COP(=O)(O)O)([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COCCCCCCCCCC/C=C \CCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |