In-Silico Structure database (LMISSD)
| |
LM ID | LMGP03029AU9 |
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Common Name | PS(O-20:1(11Z)/16:0) |
Systematic Name | 1-(11Z-eicosenyl)-2-hexadecanoyl-sn-glycero-3-phosphoserine |
Synonyms | PS(O-36:1); PS(O-20:1/16:0) |
Exact Mass | |
Formula | C42H82NO9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoserines [GP03] |
Sub Class | 1-alkyl,2-acylglycerophosphoserines [GP0302] |
PubChem Compound ID (CID) | - |
InChIKey | KWVRSEQFXSYRSC-WMWCSSQDSA-N |
InChI | InChI=1S/C42H82NO9P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-49-3 6-39(37-50-53(47,48)51-38-40(43)42(45)46)52-41(44)34-32-30-28-26-24-22-16-14-12- 10-8-6-4-2/h17-18,39-40H,3-16,19-38,43H2,1-2H3,(H,45,46)(H,47,48)/b18-17-/t39-,4 0+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCC)=O)COCCCCCCCCCC/C=C\CCCC CCCC)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |