In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01029ARD |
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Common Name | PC(O-18:1(9Z)/19:0) |
Systematic Name | 1-(9Z-octadecenyl)-2-nonadecanoyl-sn-glycero-3-phosphocholine |
Synonyms | PC(O-37:1); PC(O-18:1/19:0) |
Exact Mass | |
Formula | C45H90NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-alkyl,2-acylglycerophosphocholines [GP0102] |
PubChem Compound ID (CID) | - |
InChIKey | WSZSVIZJBWSELN-JBCPQQQMSA-N |
InChI | InChI=1S/C45H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-45(47)53 -44(43-52-54(48,49)51-41-39-46(3,4)5)42-50-40-37-35-33-31-29-27-25-23-21-19-17-1 5-13-11-9-7-2/h21,23,44H,6-20,22,24-43H2,1-5H3/b23-21-/t44-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCCCCCCCCC)=O)COCCCCCCCC/C=C\C CCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |