In-Silico Structure database (LMISSD)
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LM ID | LMGP20049AAZ |
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Common Name | PS(10:0/20:4(5Z,7E,11Z,14Z)(9Ke)) |
Systematic Name | 1-decanoyl-2-(9-Oxo-ETE)-sn-glycero-3-phosphoserine |
Synonyms | PS(30:4(Ke)); PS(10:0/20:4(Ke)) |
Exact Mass | |
Formula | C36H60NO11P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoserines [GP2004] |
PubChem Compound ID (CID) | - |
InChIKey | ZVBHMQJPMACLHQ-GYIGWJLFSA-N |
InChI | InChI=1S/C36H60NO11P/c1-3-5-7-9-11-12-14-16-20-24-31(38)25-21-17-15-19-23-27-35( 40)48-32(29-46-49(43,44)47-30-33(37)36(41)42)28-45-34(39)26-22-18-13-10-8-6-4-2/ h11-12,15-17,20-21,25,32-33H,3-10,13-14,18-19,22-24,26-30,37H2,1-2H3,(H,41,42)(H ,43,44)/b12-11-,17-15-,20-16-,25-21+/t32-,33+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC/C=C\C=C\C(=O)C/C=C\C/C=C\CCCCC)=O)CO C(CCCCCCCCC)=O)(=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |