In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01039ALU |
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Common Name | PC(P-18:1(9Z)/11:0) |
Systematic Name | 1-(1Z,9Z-octadecadienyl)-2-undecanoyl-sn-glycero-3-phosphocholine |
Synonyms | PC(P-29:1); PC(P-18:1/11:0) |
Exact Mass | |
Formula | C37H72NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103] |
PubChem Compound ID (CID) | - |
InChIKey | XMOJSFXWBPBCGH-PBDXGEDNSA-N |
InChI | InChI=1S/C37H72NO7P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-25-27-29-32-42-34-36 (35-44-46(40,41)43-33-31-38(3,4)5)45-37(39)30-28-26-24-15-13-11-9-7-2/h18-19,29, 32,36H,6-17,20-28,30-31,33-35H2,1-5H3/b19-18-,32-29-/t36-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCC CC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |