In-Silico Structure database (LMISSD)
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LM ID | LMGP03019DFC |
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Common Name | PS(20:4(7E,10E,13E,16E)/13:0) |
Systematic Name | 1-(7E,10E,13E,16E-eicosatetraenoyl)-2-tridecanoyl-sn-glycero-3-phosphoserine |
Synonyms | PS(33:4); PS(13:0_20:4) |
Exact Mass | |
Formula | C39H68NO10P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoserines [GP03] |
Sub Class | Diacylglycerophosphoserines [GP0301] |
PubChem Compound ID (CID) | - |
InChIKey | DJQJYVXJCDEHCC-DFDXBTAMSA-N |
InChI | InChI=1S/C39H68NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-24-26-28-30-37(41) 47-32-35(33-48-51(45,46)49-34-36(40)39(43)44)50-38(42)31-29-27-25-22-14-12-10-8- 6-4-2/h7,9,13,15,17-18,20-21,35-36H,3-6,8,10-12,14,16,19,22-34,40H2,1-2H3,(H,43, 44)(H,45,46)/b9-7+,15-13+,18-17+,21-20+/t35-,36+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCC)=O)COC(CCCCC/C=C/C/C=C/C/C= C/C/C=C/CCC)=O)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |