In-Silico Structure database (LMISSD)
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LM ID | LMGP10029ARB |
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Common Name | PA(O-18:1(9Z)/18:4(6Z,9Z,12Z,15Z)) |
Systematic Name | 1-(9Z-octadecenyl)-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycero-3-phosphate |
Synonyms | PA(O-36:5); PA(O-18:1/18:4) |
Exact Mass | |
Formula | C39H69O7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphates [GP10] |
Sub Class | 1-alkyl,2-acylglycerophosphates [GP1002] |
PubChem Compound ID (CID) | - |
InChIKey | BSAKCJQAOCYABN-FQDJQGKGSA-N |
InChI | InChI=1S/C39H69O7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-44-36-38(37 -45-47(41,42)43)46-39(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12, 14,17-20,24,26,38H,3-5,7,9-11,13,15-16,21-23,25,27-37H2,1-2H3,(H2,41,42,43)/b8-6 -,14-12-,19-17-,20-18-,26-24-/t38-/m1/s1 |
SMILES | [C@](COP(=O)(O)O)([H])(OC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COCCCCCCCC/C=C\CCCCCC CC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |