In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20029AAF |
---|---|
Common Name | PE(10:0/12:1(10E)(9OH,12OH,12Ke)) |
Systematic Name | 1-decanoyl-2-(9-hydroxy-11-carboxy-10E-undecenoyl)-sn-glycero-3- phosphoethanolamine |
Synonyms | PE(22:1(OH2,Ke)); PE(10:0/12:1(OH2,Ke)) |
Exact Mass | |
Formula | C27H50NO11P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoethanolamines [GP2002] |
PubChem Compound ID (CID) | - |
InChIKey | GVKTZISYEPHEOY-YYNXROBGSA-N |
InChI | InChI=1S/C27H50NO11P/c1-2-3-4-5-6-9-12-15-26(32)36-21-24(22-38-40(34,35)37-20-19 -28)39-27(33)16-13-10-7-8-11-14-23(29)17-18-25(30)31/h17-18,23-24,29H,2-16,19-22 ,28H2,1H3,(H,30,31)(H,34,35)/b18-17+/t23?,24-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCC(O)/C=C/C(=O)O)=O)COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |