In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20019AAA |
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Common Name | PC(10:0/11:1(9E)(11Ke)) |
Systematic Name | 1-decanoyl-2-(11-Oxo-9E-undecenoyl)-sn-glycero-3-phosphocholine |
Synonyms | PC(21:1(Ke)); PC(10:0/11:1(Ke)) |
Exact Mass | |
Formula | C29H54NO9P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphocholines [GP2001] |
PubChem Compound ID (CID) | - |
InChIKey | QCWZHLXUTFJECF-IHPPKGGTSA-N |
InChI | InChI=1S/C29H54NO9P/c1-5-6-7-8-11-14-17-20-28(32)36-25-27(26-38-40(34,35)37-24-2 2-30(2,3)4)39-29(33)21-18-15-12-9-10-13-16-19-23-31/h16,19,23,27H,5-15,17-18,20- 22,24-26H2,1-4H3/b19-16+/t27-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=C/C=O)=O)COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |