In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20029AB0 |
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Common Name | PE(10:0/8:1(6E)(5Ke,8OH,8Ke)) |
Systematic Name | 1-decanoyl-2-(5-keto-7-carboxy-6E-heptenoyl)-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(18:1(OH,Ke2)); PE(10:0/8:1(OH,Ke2)) |
Exact Mass | |
Formula | C23H40NO11P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoethanolamines [GP2002] |
PubChem Compound ID (CID) | - |
InChIKey | HDHUXPHEOUFEPO-FBRRREGBSA-N |
InChI | InChI=1S/C23H40NO11P/c1-2-3-4-5-6-7-8-11-22(28)32-17-20(18-34-36(30,31)33-16-15- 24)35-23(29)12-9-10-19(25)13-14-21(26)27/h13-14,20H,2-12,15-18,24H2,1H3,(H,26,27 )(H,30,31)/b14-13+/t20-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCC(=O)/C=C/C(=O)O)=O)COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |