In-Silico Structure database (LMISSD)
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LM ID | LMGP03039ATL |
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Common Name | PS(P-20:1(9Z)/18:3(9Z,12Z,15Z)) |
Systematic Name | 1-(1Z,9Z-eicosadienyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3- phosphoserine |
Synonyms | PS(P-38:4); PS(P-20:1/18:3) |
Exact Mass | |
Formula | C44H78NO9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoserines [GP03] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoserines [GP0303] |
PubChem Compound ID (CID) | - |
InChIKey | NAQTWXKWAHCHLV-CZZNBARXSA-N |
InChI | InChI=1S/C44H78NO9P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-51-3 8-41(39-52-55(49,50)53-40-42(45)44(47)48)54-43(46)36-34-32-30-28-26-24-22-18-16- 14-12-10-8-6-4-2/h6,8,12,14,18,20-22,35,37,41-42H,3-5,7,9-11,13,15-17,19,23-34,3 6,38-40,45H2,1-2H3,(H,47,48)(H,49,50)/b8-6-,14-12-,21-20-,22-18-,37-35-/t41-,42+ /m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)CO/C=C\CCC CCC/C=C\CCCCCCCCCC)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |