In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01039AL5 |
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Common Name | PC(P-18:1(9Z)/17:1(9Z)) |
Systematic Name | 1-(1Z,9Z-octadecadienyl)-2-(9Z-heptadecenoyl)-sn-glycero-3-phosphocholine |
Synonyms | PC(P-35:2); PC(P-18:1/17:1) |
Exact Mass | |
Formula | C43H82NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103] |
PubChem Compound ID (CID) | - |
InChIKey | BVVOCMMPAUEWJQ-NTMPJORBSA-N |
InChI | InChI=1S/C43H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-38-48-40-42 (41-50-52(46,47)49-39-37-44(3,4)5)51-43(45)36-34-32-30-28-26-24-21-19-17-15-13-1 1-9-7-2/h19-22,35,38,42H,6-18,23-34,36-37,39-41H2,1-5H3/b21-19-,22-20-,38-35-/t4 2-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)CO/C=C\CCCCCC/C =C\CCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |