In-Silico Structure database (LMISSD)
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LM ID | LMGP10029AVY |
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Common Name | PA(O-20:1(11Z)/18:4(9E,11E,13E,15E)) |
Systematic Name | 1-(11Z-eicosenyl)-2-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycero-3-phosphate |
Synonyms | PA(O-38:5); PA(O-20:1/18:4) |
Exact Mass | |
Formula | C41H73O7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphates [GP10] |
Sub Class | 1-alkyl,2-acylglycerophosphates [GP1002] |
PubChem Compound ID (CID) | - |
InChIKey | VZBMKCJDZQFOBC-BMLDLOHASA-N |
InChI | InChI=1S/C41H73O7P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-46-38 -40(39-47-49(43,44)45)48-41(42)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h6 ,8,10,12,14,16-19,22,40H,3-5,7,9,11,13,15,20-21,23-39H2,1-2H3,(H2,43,44,45)/b8-6 +,12-10+,16-14+,19-17-,22-18+/t40-/m1/s1 |
SMILES | [C@](COP(=O)(O)O)([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)COCCCCCCCCCC/C=C\CCCCCCC C |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |