In-Silico Structure database (LMISSD)
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LM ID | LMGP10029ABW |
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Common Name | PA(O-14:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)) |
Systematic Name | 1-tetradecyl-2-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphate |
Synonyms | PA(O-36:6); PA(O-14:0/22:6) |
Exact Mass | |
Formula | C39H67O7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphates [GP10] |
Sub Class | 1-alkyl,2-acylglycerophosphates [GP1002] |
PubChem Compound ID (CID) | - |
InChIKey | BBWFAWMTSQFCJN-ZXFMABDOSA-N |
InChI | InChI=1S/C39H67O7P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-39 (40)46-38(37-45-47(41,42)43)36-44-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h5,7,11, 13,18-21,23-24,28,30,38H,3-4,6,8-10,12,14-17,22,25-27,29,31-37H2,1-2H3,(H2,41,42 ,43)/b7-5-,13-11-,19-18+,21-20-,24-23-,30-28-/t38-/m1/s1 |
SMILES | [C@](COP(=O)(O)O)([H])(OC(CC/C=C\C/C=C\C/C=C\C=C\CC/C=C\C/C=C\CC)=O)COCCCCCCCCCC CCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |