In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20079AFI |
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Common Name | PA(12:0/5:0(5OH,5Ke)) |
Systematic Name | 1-dodecanoyl-2-glutaroyl-sn-glycero-3-phosphate |
Synonyms | PA(17:0(OH,Ke)); PA(12:0/5:0(OH,Ke)) |
Exact Mass | |
Formula | C20H37O10P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphates [GP2007] |
PubChem Compound ID (CID) | - |
InChIKey | KXPDEIPXGUVHKB-QGZVFWFLSA-N |
InChI | InChI=1S/C20H37O10P/c1-2-3-4-5-6-7-8-9-10-13-19(23)28-15-17(16-29-31(25,26)27)30 -20(24)14-11-12-18(21)22/h17H,2-16H2,1H3,(H,21,22)(H2,25,26,27)/t17-/m1/s1 |
SMILES | [C@](COP(=O)(O)O)([H])(OC(CCCC(=O)O)=O)COC(CCCCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |