In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01019ABG |
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Common Name | PC(10:0/20:3(5Z,8Z,11Z)) |
Systematic Name | 1-decanoyl-2-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycero-3-phosphocholine |
Synonyms | PC(30:3); PC(10:0_20:3) |
Exact Mass | |
Formula | C38H70NO8P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | Diacylglycerophosphocholines [GP0101] |
PubChem Compound ID (CID) | - |
InChIKey | KNAJFTMMPVSQLE-VRWJVXFASA-N |
InChI | InChI=1S/C38H70NO8P/c1-6-8-10-12-14-15-16-17-18-19-20-21-22-23-25-27-29-31-38(41 )47-36(35-46-48(42,43)45-33-32-39(3,4)5)34-44-37(40)30-28-26-24-13-11-9-7-2/h17- 18,20-21,23,25,36H,6-16,19,22,24,26-35H2,1-5H3/b18-17-,21-20-,25-23-/t36-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O)COC(CC CCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |