In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20019ABO |
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Common Name | PC(10:0/4:1(3E)) |
Systematic Name | 1-decanoyl-2-3E-butenoyl-sn-glycero-3-phosphocholine |
Synonyms | PC(14:1); PC(10:0/4:1) |
Exact Mass | |
Formula | C22H42NO8P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphocholines [GP2001] |
PubChem Compound ID (CID) | - |
InChIKey | SCTQNYQHKFIBKL-HXUWFJFHSA-N |
InChI | InChI=1S/C22H42NO8P/c1-6-8-9-10-11-12-13-15-21(24)28-18-20(31-22(25)14-7-2)19-30 -32(26,27)29-17-16-23(3,4)5/h7,20H,2,6,8-19H2,1,3-5H3/t20-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CC=C)=O)COC(CCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |