In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20029AA0 |
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Common Name | PE(10:0/20:4(5Z,7E,11Z,14Z)(9OH[S])) |
Systematic Name | 1-decanoyl-2-(9S-HETE)-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(30:4(OH)); PE(10:0/20:4(OH)) |
Exact Mass | |
Formula | C35H62NO9P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoethanolamines [GP2002] |
PubChem Compound ID (CID) | - |
InChIKey | FYJXSIFLXBZXHO-NUUUGDQFSA-N |
InChI | InChI=1S/C35H62NO9P/c1-3-5-7-9-11-12-14-16-20-24-32(37)25-21-17-15-19-23-27-35(3 9)45-33(31-44-46(40,41)43-29-28-36)30-42-34(38)26-22-18-13-10-8-6-4-2/h11-12,15- 17,20-21,25,32-33,37H,3-10,13-14,18-19,22-24,26-31,36H2,1-2H3,(H,40,41)/b12-11-, 17-15-,20-16-,25-21+/t32-,33+/m0/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCC/C=C\C=C\[C@@H](O)C/C=C\C/C=C\CCCCC)=O)COC(CCCCC CCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |