In-Silico Structure database (LMISSD)
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LM ID | LMGP20049AB5 |
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Common Name | PS(10:0/9:2(5E,7E)(4Ke,9Ke)) |
Systematic Name | 1-decanoyl-2-(4,9-dioxo-5E,7E-nonadienoyl)-sn-glycero-3-phosphoserine |
Synonyms | PS(19:2(Ke2)); PS(10:0/9:2(Ke2)) |
Exact Mass | |
Formula | C25H40NO12P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoserines [GP2004] |
PubChem Compound ID (CID) | - |
InChIKey | POIWKWLXCHTAMB-YGUBQXBFSA-N |
InChI | InChI=1S/C25H40NO12P/c1-2-3-4-5-6-7-10-13-23(29)35-17-21(18-36-39(33,34)37-19-22 (26)25(31)32)38-24(30)15-14-20(28)12-9-8-11-16-27/h8-9,11-12,16,21-22H,2-7,10,13 -15,17-19,26H2,1H3,(H,31,32)(H,33,34)/b11-8+,12-9+/t21-,22+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC(=O)/C=C/C=C/C=O)=O)COC(CCCCCCCCC)=O) (=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |