In-Silico Structure database (LMISSD)
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LM ID | LMGP10029AK2 |
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Common Name | PA(O-16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) |
Systematic Name | 1-(9Z-hexadecenyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3- phosphate |
Synonyms | PA(O-38:6); PA(O-16:1/22:5) |
Exact Mass | |
Formula | C41H71O7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphates [GP10] |
Sub Class | 1-alkyl,2-acylglycerophosphates [GP1002] |
PubChem Compound ID (CID) | - |
InChIKey | WEIPICHIIRTXRT-NRWXXSDNSA-N |
InChI | InChI=1S/C41H71O7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-41 (42)48-40(39-47-49(43,44)45)38-46-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h1 1,13-14,16-17,19,21-22,24,26,30,32,40H,3-10,12,15,18,20,23,25,27-29,31,33-39H2,1 -2H3,(H2,43,44,45)/b13-11-,16-14-,19-17-,22-21-,26-24-,32-30-/t40-/m1/s1 |
SMILES | [C@](COP(=O)(O)O)([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COCCCCCCCC/C=C \CCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |