In-Silico Structure database (LMISSD)
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LM ID | LMGP10029AOZ |
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Common Name | PA(O-18:1(11Z)/18:3(9Z,12Z,15Z)) |
Systematic Name | 1-(11Z-octadecenyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphate |
Synonyms | PA(O-36:4); PA(O-18:1/18:3) |
Exact Mass | |
Formula | C39H71O7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphates [GP10] |
Sub Class | 1-alkyl,2-acylglycerophosphates [GP1002] |
PubChem Compound ID (CID) | - |
InChIKey | YKOPYTQUPJJJJF-AAYVXUPRSA-N |
InChI | InChI=1S/C39H71O7P/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- 15,18,20,38H,3-5,7,9-11,16-17,19,21-37H2,1-2H3,(H2,41,42,43)/b8-6-,14-12-,15-13- ,20-18-/t38-/m1/s1 |
SMILES | [C@](COP(=O)(O)O)([H])(OC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)COCCCCCCCCCC/C=C\CCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |