In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01019ABN |
---|---|
Common Name | PC(10:0/20:4(7E,10E,13E,16E)) |
Systematic Name | 1-decanoyl-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3-phosphocholine |
Synonyms | PC(30:4); PC(10:0_20:4) |
Exact Mass | |
Formula | C38H68NO8P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | Diacylglycerophosphocholines [GP0101] |
PubChem Compound ID (CID) | - |
InChIKey | IOGBFWBBPOVXRD-BWAQPXBYSA-N |
InChI | InChI=1S/C38H68NO8P/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/h10, 12,15-16,18-19,21-22,36H,6-9,11,13-14,17,20,23-35H2,1-5H3/b12-10+,16-15+,19-18+, 22-21+/t36-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)COC (CCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |