In-Silico Structure database (LMISSD)
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LM ID | LMGP10029AM6 |
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Common Name | PA(O-18:0/20:4(7E,10E,13E,16E)) |
Systematic Name | 1-octadecyl-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3-phosphate |
Synonyms | PA(O-38:4); PA(O-18:0/20:4) |
Exact Mass | |
Formula | C41H75O7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphates [GP10] |
Sub Class | 1-alkyl,2-acylglycerophosphates [GP1002] |
PubChem Compound ID (CID) | - |
InChIKey | CJMSXQKRPOPEIT-BULFXMBYSA-N |
InChI | InChI=1S/C41H75O7P/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/h7 ,9,13,15,19,21,24,26,40H,3-6,8,10-12,14,16-18,20,22-23,25,27-39H2,1-2H3,(H2,43,4 4,45)/b9-7+,15-13+,21-19+,26-24+/t40-/m1/s1 |
SMILES | [C@](COP(=O)(O)O)([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)COCCCCCCCCCCCCCCCCC C |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |