In-Silico Structure database (LMISSD)
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LM ID | LMGP10029AVV |
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Common Name | PA(O-20:1(11Z)/18:3(6Z,9Z,12Z)) |
Systematic Name | 1-(11Z-eicosenyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phosphate |
Synonyms | PA(O-38:4); PA(O-20:1/18:3) |
Exact Mass | |
Formula | C41H75O7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphates [GP10] |
Sub Class | 1-alkyl,2-acylglycerophosphates [GP1002] |
PubChem Compound ID (CID) | - |
InChIKey | QFJXBFYJKVTIDJ-NQNLFKHESA-N |
InChI | InChI=1S/C41H75O7P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-46-38 -40(39-47-49(43,44)45)48-41(42)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h1 2,14,17-19,22,26,28,40H,3-11,13,15-16,20-21,23-25,27,29-39H2,1-2H3,(H2,43,44,45) /b14-12-,19-17-,22-18-,28-26-/t40-/m1/s1 |
SMILES | [C@](COP(=O)(O)O)([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COCCCCCCCCCC/C=C\CCCCCCC C |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |