In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01039ASX |
---|---|
Common Name | PC(P-20:1(9Z)/15:1(9Z)) |
Systematic Name | 1-(1Z,9Z-eicosadienyl)-2-(9Z-pentadecenoyl)-sn-glycero-3-phosphocholine |
Synonyms | PC(P-35:2); PC(P-20:1/15:1) |
Exact Mass | |
Formula | C43H82NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103] |
PubChem Compound ID (CID) | - |
InChIKey | BQVPMTDBRLHGJI-JHYADOJKSA-N |
InChI | InChI=1S/C43H82NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-38-48 -40-42(41-50-52(46,47)49-39-37-44(3,4)5)51-43(45)36-34-32-30-28-26-19-17-15-13-1 1-9-7-2/h15,17,22-23,35,38,42H,6-14,16,18-21,24-34,36-37,39-41H2,1-5H3/b17-15-,2 3-22-,38-35-/t42-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=C\CCCCC)=O)CO/C=C\CCCCCC/C=C \CCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |