In-Silico Structure database (LMISSD)
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LM ID | LMGP10029AVE |
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Common Name | PA(O-20:1(11Z)/17:2(9Z,12Z)) |
Systematic Name | 1-(11Z-eicosenyl)-2-(9Z,12Z-heptadecadienoyl)-sn-glycero-3-phosphate |
Synonyms | PA(O-37:3); PA(O-20:1/17:2) |
Exact Mass | |
Formula | C40H75O7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphates [GP10] |
Sub Class | 1-alkyl,2-acylglycerophosphates [GP1002] |
PubChem Compound ID (CID) | - |
InChIKey | VWROGHZJTKDWIM-IHPICROYSA-N |
InChI | InChI=1S/C40H75O7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-45-37 -39(38-46-48(42,43)44)47-40(41)35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h10,1 2,16-19,39H,3-9,11,13-15,20-38H2,1-2H3,(H2,42,43,44)/b12-10-,18-16-,19-17-/t39-/ m1/s1 |
SMILES | [C@](COP(=O)(O)O)([H])(OC(CCCCCCC/C=C\C/C=C\CCCC)=O)COCCCCCCCCCC/C=C\CCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |