In-Silico Structure database (LMISSD)
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LM ID | LMGP10029AKS |
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Common Name | PA(O-16:1(9Z)/20:4(5Z,8Z,11Z,13E)) |
Systematic Name | 1-(9Z-hexadecenyl)-2-(5Z,8Z,11Z,13E-eicosatetraenoyl)-sn-glycero-3-phosphate |
Synonyms | PA(O-36:5); PA(O-16:1/20:4) |
Exact Mass | |
Formula | C39H69O7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphates [GP10] |
Sub Class | 1-alkyl,2-acylglycerophosphates [GP1002] |
PubChem Compound ID (CID) | - |
InChIKey | SPIMMMGWOFDNQH-PBWBYSEZSA-N |
InChI | InChI=1S/C39H69O7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-39(40)46 -38(37-45-47(41,42)43)36-44-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h13-17,1 9,21-22,26,28,38H,3-12,18,20,23-25,27,29-37H2,1-2H3,(H2,41,42,43)/b15-13+,16-14- ,19-17-,22-21-,28-26-/t38-/m1/s1 |
SMILES | [C@](COP(=O)(O)O)([H])(OC(CCC/C=C\C/C=C\C/C=C\C=C\CCCCCC)=O)COCCCCCCCC/C=C\CCCCC C |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |