In-Silico Structure database (LMISSD)
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LM ID | LMGP20049ABR |
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Common Name | PS(10:0/6:1(4E)(3Ke,6OH,6Ke)) |
Systematic Name | 1-decanoyl-2-(3,6-dioxo-4E-hexenoyl)-sn-glycero-3-phosphoserine |
Synonyms | PS(16:1(OH,Ke2)); PS(10:0/6:1(OH,Ke2)) |
Exact Mass | |
Formula | C22H36NO13P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoserines [GP2004] |
PubChem Compound ID (CID) | - |
InChIKey | IOSSTIVLHLFWJD-KNJKRIMISA-N |
InChI | InChI=1S/C22H36NO13P/c1-2-3-4-5-6-7-8-9-20(27)33-13-17(36-21(28)12-16(24)10-11-1 9(25)26)14-34-37(31,32)35-15-18(23)22(29)30/h10-11,17-18H,2-9,12-15,23H2,1H3,(H, 25,26)(H,29,30)(H,31,32)/b11-10+/t17-,18+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CC(=O)/C=C/C(=O)O)=O)COC(CCCCCCCCC)=O)(= O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |