In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01039AS1 |
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Common Name | PC(P-20:1(9Z)/17:0) |
Systematic Name | 1-(1Z,9Z-eicosadienyl)-2-heptadecanoyl-sn-glycero-3-phosphocholine |
Synonyms | PC(P-37:1); PC(P-20:1/17:0) |
Exact Mass | |
Formula | C45H88NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103] |
PubChem Compound ID (CID) | - |
InChIKey | HYKISLCXNSNHOV-TWQGZQDZSA-N |
InChI | InChI=1S/C45H88NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-40-50 -42-44(43-52-54(48,49)51-41-39-46(3,4)5)53-45(47)38-36-34-32-30-28-26-21-19-17-1 5-13-11-9-7-2/h23-24,37,40,44H,6-22,25-36,38-39,41-43H2,1-5H3/b24-23-,40-37-/t44 -/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCCCCCCC)=O)CO/C=C\CCCCCC/C=C\ CCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |