In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20049AZE |
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Common Name | PS(17:2(9Z,12Z)/2:0) |
Systematic Name | 1-(9Z,12Z-heptadecadienoyl)-2-acetyl-sn-glycero-3-phosphoserine |
Synonyms | PS(19:2); PS(17:2/2:0) |
Exact Mass | |
Formula | C25H44NO10P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoserines [GP2004] |
PubChem Compound ID (CID) | - |
InChIKey | MQRZNFARKIRONC-WVUYCCORSA-N |
InChI | InChI=1S/C25H44NO10P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)33-18-22(36- 21(2)27)19-34-37(31,32)35-20-23(26)25(29)30/h6-7,9-10,22-23H,3-5,8,11-20,26H2,1- 2H3,(H,29,30)(H,31,32)/b7-6-,10-9-/t22-,23+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(C)=O)COC(CCCCCCC/C=C\C/C=C\CCCC)=O)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |