In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01019AIF |
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Common Name | PC(13:0/20:4(5E,8E,11E,14E)) |
Systematic Name | 1-tridecanoyl-2-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycero-3-phosphocholine |
Synonyms | PC(33:4); PC(13:0_20:4) |
Exact Mass | |
Formula | C41H74NO8P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | Diacylglycerophosphocholines [GP0101] |
PubChem Compound ID (CID) | - |
InChIKey | YJBCBZVRGHSHHA-OGFIOYJSSA-N |
InChI | InChI=1S/C41H74NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-26-28-30-32-34-41(44 )50-39(38-49-51(45,46)48-36-35-42(3,4)5)37-47-40(43)33-31-29-27-25-17-15-13-11-9 -7-2/h14,16,19-20,22-23,26,28,39H,6-13,15,17-18,21,24-25,27,29-38H2,1-5H3/b16-14 +,20-19+,23-22+,28-26+/t39-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)=O)COC (CCCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |