In-Silico Structure database (LMISSD)
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LM ID | LMGP03029AXP |
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Common Name | PS(O-20:1(9Z)/17:2(9Z,12Z)) |
Systematic Name | 1-(9Z-eicosenyl)-2-(9Z,12Z-heptadecadienoyl)-sn-glycero-3-phosphoserine |
Synonyms | PS(O-37:3); PS(O-20:1/17:2) |
Exact Mass | |
Formula | C43H80NO9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoserines [GP03] |
Sub Class | 1-alkyl,2-acylglycerophosphoserines [GP0302] |
PubChem Compound ID (CID) | - |
InChIKey | JNHQQKAESUNINY-YMZPLWCHSA-N |
InChI | InChI=1S/C43H80NO9P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-50-3 7-40(38-51-54(48,49)52-39-41(44)43(46)47)53-42(45)35-33-31-29-27-25-23-18-16-14- 12-10-8-6-4-2/h10,12,16,18,20-21,40-41H,3-9,11,13-15,17,19,22-39,44H2,1-2H3,(H,4 6,47)(H,48,49)/b12-10-,18-16-,21-20-/t40-,41+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCC)=O)COCCCCCCCC/C=C \CCCCCCCCCC)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |