In-Silico Structure database (LMISSD)
| |
LM ID | LMGP03019AE5 |
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Common Name | PS(12:0/16:1(7Z)) |
Systematic Name | 1-dodecanoyl-2-(7Z-hexadecenoyl)-sn-glycero-3-phosphoserine |
Synonyms | PS(28:1); PS(12:0_16:1) |
Exact Mass | |
Formula | C34H64NO10P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoserines [GP03] |
Sub Class | Diacylglycerophosphoserines [GP0301] |
PubChem Compound ID (CID) | - |
InChIKey | CNSPBGRNCPAJPF-XGQMYZISSA-N |
InChI | InChI=1S/C34H64NO10P/c1-3-5-7-9-11-13-14-15-16-18-20-22-24-26-33(37)45-30(28-43- 46(40,41)44-29-31(35)34(38)39)27-42-32(36)25-23-21-19-17-12-10-8-6-4-2/h15-16,30 -31H,3-14,17-29,35H2,1-2H3,(H,38,39)(H,40,41)/b16-15-/t30-,31+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCCCCCC)=O )(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |