In-Silico Structure database (LMISSD)
| |
LM ID | LMGP03029AFZ |
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Common Name | PS(O-16:0/20:1(13Z)) |
Systematic Name | 1-hexadecyl-2-(13Z-eicosenoyl)-sn-glycero-3-phosphoserine |
Synonyms | PS(O-36:1); PS(O-16:0/20:1) |
Exact Mass | |
Formula | C42H82NO9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoserines [GP03] |
Sub Class | 1-alkyl,2-acylglycerophosphoserines [GP0302] |
PubChem Compound ID (CID) | - |
InChIKey | GNYTYYVFZYFLCE-JGMVNYEPSA-N |
InChI | InChI=1S/C42H82NO9P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(44)5 2-39(37-50-53(47,48)51-38-40(43)42(45)46)36-49-35-33-31-29-27-25-23-18-16-14-12- 10-8-6-4-2/h13,15,39-40H,3-12,14,16-38,43H2,1-2H3,(H,45,46)(H,47,48)/b15-13-/t39 -,40+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCC/C=C\CCCCCC)=O)COCCCCCCCCCCCC CCCC)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |