In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20079AB1 |
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Common Name | PA(10:0/8:1(6E)(5OH,8Ke)) |
Systematic Name | 1-decanoyl-2-(5-hydroxy-8-oxo-6E-octenoyl)-sn-glycero-3-phosphate |
Synonyms | PA(18:1(OH,Ke)); PA(10:0/8:1(OH,Ke)) |
Exact Mass | |
Formula | C21H37O10P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphates [GP2007] |
PubChem Compound ID (CID) | - |
InChIKey | GGKWFWZAEYLRBR-SCOIZXIBSA-N |
InChI | InChI=1S/C21H37O10P/c1-2-3-4-5-6-7-8-13-20(24)29-16-19(17-30-32(26,27)28)31-21(2 5)14-9-11-18(23)12-10-15-22/h10,12,15,18-19,23H,2-9,11,13-14,16-17H2,1H3,(H2,26, 27,28)/b12-10+/t18?,19-/m1/s1 |
SMILES | [C@](COP(=O)(O)O)([H])(OC(CCCC(O)/C=C/C=O)=O)COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |