In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20079AI8 |
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Common Name | PA(14:0/4:1(3E)) |
Systematic Name | 1-tetradecanoyl-2-3E-butenoyl-sn-glycero-3-phosphate |
Synonyms | PA(18:1); PA(14:0/4:1) |
Exact Mass | |
Formula | C21H39O8P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphates [GP2007] |
PubChem Compound ID (CID) | - |
InChIKey | JMIXQEPNLJCZJP-LJQANCHMSA-N |
InChI | InChI=1S/C21H39O8P/c1-3-5-6-7-8-9-10-11-12-13-14-16-20(22)27-17-19(18-28-30(24,2 5)26)29-21(23)15-4-2/h4,19H,2-3,5-18H2,1H3,(H2,24,25,26)/t19-/m1/s1 |
SMILES | [C@](COP(=O)(O)O)([H])(OC(CC=C)=O)COC(CCCCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |