In-Silico Structure database (LMISSD)
| |
LM ID | LMGP03029A8W |
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Common Name | PS(O-22:1(9Z)/11:0) |
Systematic Name | 1-(9Z-docosenyl)-2-undecanoyl-sn-glycero-3-phosphoserine |
Synonyms | PS(O-33:1); PS(O-22:1/11:0) |
Exact Mass | |
Formula | C39H76NO9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoserines [GP03] |
Sub Class | 1-alkyl,2-acylglycerophosphoserines [GP0302] |
PubChem Compound ID (CID) | - |
InChIKey | KWQIFTRESRHUGF-NIMHPGAQSA-N |
InChI | InChI=1S/C39H76NO9P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-3 2-46-33-36(34-47-50(44,45)48-35-37(40)39(42)43)49-38(41)31-29-27-25-12-10-8-6-4- 2/h19-20,36-37H,3-18,21-35,40H2,1-2H3,(H,42,43)(H,44,45)/b20-19-/t36-,37+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCC)=O)COCCCCCCCC/C=C\CCCCCCCCCCC C)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |