In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20029AAS |
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Common Name | PE(10:0/18:2(9Z,15Z)(12OH[R])) |
Systematic Name | 1-decanoyl-2-(12R-HODE)-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(28:2(OH)); PE(10:0/18:2(OH)) |
Exact Mass | |
Formula | C33H62NO9P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoethanolamines [GP2002] |
PubChem Compound ID (CID) | - |
InChIKey | AYJAVQROZOZLFP-QHPJJVJISA-N |
InChI | InChI=1S/C33H62NO9P/c1-3-5-7-9-12-16-20-24-32(36)40-28-31(29-42-44(38,39)41-27-2 6-34)43-33(37)25-21-17-14-11-10-13-15-19-23-30(35)22-18-8-6-4-2/h6,8,15,19,30-31 ,35H,3-5,7,9-14,16-18,20-29,34H2,1-2H3,(H,38,39)/b8-6-,19-15-/t30-,31-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC/C=C\C[C@H](O)CC/C=C\CC)=O)COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |