In-Silico Structure database (LMISSD)
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LM ID | LMGP02039AMQ |
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Common Name | PE(P-18:1(9Z)/18:4(9E,11E,13E,15E)) |
Systematic Name | 1-(1Z,9Z-octadecadienyl)-2-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycero-3- phosphoethanolamine |
Synonyms | PE(P-36:5); PE(P-18:1/18:4) |
Exact Mass | |
Formula | C41H72NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoethanolamines [GP0203] |
PubChem Compound ID (CID) | - |
InChIKey | JKVCATFHQKPZHE-KJASKHCOSA-N |
InChI | InChI=1S/C41H72NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(3 9-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4- 2/h6,8,10,12,14,16-20,33,36,40H,3-5,7,9,11,13,15,21-32,34-35,37-39,42H2,1-2H3,(H ,44,45)/b8-6+,12-10+,16-14+,19-17-,20-18+,36-33-/t40-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)CO/C=C\CCCCCC/C=C\CCC CCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |