In-Silico Structure database (LMISSD)
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LM ID | LMGP02019AA6 |
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Common Name | PE(10:0/18:4(6Z,9Z,12Z,15Z)) |
Systematic Name | 1-decanoyl-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycero-3- phosphoethanolamine |
Synonyms | PE(28:4); PE(10:0_18:4) |
Exact Mass | |
Formula | C33H58NO8P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | Diacylglycerophosphoethanolamines [GP0201] |
PubChem Compound ID (CID) | - |
InChIKey | WYYBGNHITCKSFH-NLSQDVQCSA-N |
InChI | InChI=1S/C33H58NO8P/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-33(36)42-31(3 0-41-43(37,38)40-28-27-34)29-39-32(35)25-23-21-19-10-8-6-4-2/h5,7,11-12,14-15,17 -18,31H,3-4,6,8-10,13,16,19-30,34H2,1-2H3,(H,37,38)/b7-5-,12-11-,15-14-,18-17-/t 31-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |