In-Silico Structure database (LMISSD)
| |
LM ID | LMGP03029AQX |
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Common Name | PS(O-18:1(9Z)/18:1(17Z)) |
Systematic Name | 1-(9Z-octadecenyl)-2-(13Z-octadecenoyl)-sn-glycero-3-phosphoserine |
Synonyms | PS(O-36:2); PS(O-18:1/18:1) |
Exact Mass | |
Formula | C42H80NO9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoserines [GP03] |
Sub Class | 1-alkyl,2-acylglycerophosphoserines [GP0302] |
PubChem Compound ID (CID) | - |
InChIKey | WYWUDAJHGGLKLK-BFCPHGQOSA-N |
InChI | InChI=1S/C42H80NO9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-49-36-39(3 7-50-53(47,48)51-38-40(43)42(45)46)52-41(44)34-32-30-28-26-24-22-20-18-16-14-12- 10-8-6-4-2/h4,17,19,39-40H,2-3,5-16,18,20-38,43H2,1H3,(H,45,46)(H,47,48)/b19-17- /t39-,40+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCC=C)=O)COCCCCCCCC/C=C\CCC CCCCC)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |