In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20049AFF |
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Common Name | PS(12:0/4:0) |
Systematic Name | 1-dodecanoyl-2-butyryl-sn-glycero-3-phosphoserine |
Synonyms | PS(16:0); PS(12:0/4:0) |
Exact Mass | |
Formula | C22H42NO10P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoserines [GP2004] |
PubChem Compound ID (CID) | - |
InChIKey | TVQQBUDTZBJEBB-MOPGFXCFSA-N |
InChI | InChI=1S/C22H42NO10P/c1-3-5-6-7-8-9-10-11-12-14-20(24)30-15-18(33-21(25)13-4-2)1 6-31-34(28,29)32-17-19(23)22(26)27/h18-19H,3-17,23H2,1-2H3,(H,26,27)(H,28,29)/t1 8-,19+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC)=O)COC(CCCCCCCCCCC)=O)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |