In-Silico Structure database (LMISSD)
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LM ID | LMGP02019AA4 |
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Common Name | PE(10:0/18:3(6Z,9Z,12Z)) |
Systematic Name | 1-decanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(28:3); PE(10:0_18:3) |
Exact Mass | |
Formula | C33H60NO8P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | Diacylglycerophosphoethanolamines [GP0201] |
PubChem Compound ID (CID) | - |
InChIKey | HGRXDAYYJUIIBN-WAOQOYMTSA-N |
InChI | InChI=1S/C33H60NO8P/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/h11-12,14-15,17-18, 31H,3-10,13,16,19-30,34H2,1-2H3,(H,37,38)/b12-11-,15-14-,18-17-/t31-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |