In-Silico Structure database (LMISSD)
| |
LM ID | LMGP03029AAM |
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Common Name | PS(O-14:0/17:1(9Z)) |
Systematic Name | 1-tetradecyl-2-(9Z-heptadecenoyl)-sn-glycero-3-phosphoserine |
Synonyms | PS(O-31:1); PS(O-14:0/17:1) |
Exact Mass | |
Formula | C37H72NO9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoserines [GP03] |
Sub Class | 1-alkyl,2-acylglycerophosphoserines [GP0302] |
PubChem Compound ID (CID) | - |
InChIKey | LMFAVOYRAIOFGV-WJIQJYEXSA-N |
InChI | InChI=1S/C37H72NO9P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-36(39)47-34(32-4 5-48(42,43)46-33-35(38)37(40)41)31-44-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h15, 17,34-35H,3-14,16,18-33,38H2,1-2H3,(H,40,41)(H,42,43)/b17-15-/t34-,35+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)COCCCCCCCCCCCCCC) (=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |