In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01029AAM |
---|---|
Common Name | PC(O-14:0/17:1(9Z)) |
Systematic Name | 1-tetradecyl-2-(9Z-heptadecenoyl)-sn-glycero-3-phosphocholine |
Synonyms | PC(O-31:1); PC(O-14:0/17:1) |
Exact Mass | |
Formula | C39H78NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-alkyl,2-acylglycerophosphocholines [GP0102] |
PubChem Compound ID (CID) | - |
InChIKey | BBUUIRCSNJNHEK-CFFKTVTHSA-N |
InChI | InChI=1S/C39H78NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-39(41)47-38(37 -46-48(42,43)45-35-33-40(3,4)5)36-44-34-31-29-27-25-23-19-17-15-13-11-9-7-2/h18, 20,38H,6-17,19,21-37H2,1-5H3/b20-18-/t38-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)COCCCCCCCCCCCCC C |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |