In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20079ABR |
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Common Name | PA(10:0/6:1(4E)(3Ke,6OH,6Ke)) |
Systematic Name | 1-decanoyl-2-(3,6-dioxo-4E-hexenoyl)-sn-glycero-3-phosphate |
Synonyms | PA(16:1(OH,Ke2)); PA(10:0/6:1(OH,Ke2)) |
Exact Mass | |
Formula | C19H31O11P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphates [GP2007] |
PubChem Compound ID (CID) | - |
InChIKey | PAQJJHSSBHYVKF-SIFUEBAJSA-N |
InChI | InChI=1S/C19H31O11P/c1-2-3-4-5-6-7-8-9-18(23)28-13-16(14-29-31(25,26)27)30-19(24 )12-15(20)10-11-17(21)22/h10-11,16H,2-9,12-14H2,1H3,(H,21,22)(H2,25,26,27)/b11-1 0+/t16-/m1/s1 |
SMILES | [C@](COP(=O)(O)O)([H])(OC(CC(=O)/C=C/C(=O)O)=O)COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |