In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01019ADF |
---|---|
Common Name | PC(11:0/18:3(6Z,9Z,12Z)) |
Systematic Name | 1-undecanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phosphocholine |
Synonyms | PC(29:3); PC(11:0_18:3) |
Exact Mass | |
Formula | C37H68NO8P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | Diacylglycerophosphocholines [GP0101] |
PubChem Compound ID (CID) | - |
InChIKey | CBYBGKVKXHIDJC-LSOAEZNPSA-N |
InChI | InChI=1S/C37H68NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-22-24-26-28-30-37(40)46-35 (34-45-47(41,42)44-32-31-38(3,4)5)33-43-36(39)29-27-25-23-15-13-11-9-7-2/h14,16, 18-19,21-22,35H,6-13,15,17,20,23-34H2,1-5H3/b16-14-,19-18-,22-21-/t35-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCC CCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |