In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01029AAJ |
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Common Name | PC(O-14:0/16:1(7Z)) |
Systematic Name | 1-tetradecyl-2-(7Z-hexadecenoyl)-sn-glycero-3-phosphocholine |
Synonyms | PC(O-30:1); PC(O-14:0/16:1) |
Exact Mass | |
Formula | C38H76NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-alkyl,2-acylglycerophosphocholines [GP0102] |
PubChem Compound ID (CID) | - |
InChIKey | XUSYIHUAXSXRFU-RDPSYFCGSA-N |
InChI | InChI=1S/C38H76NO7P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-38(40)46-37(36-45 -47(41,42)44-34-32-39(3,4)5)35-43-33-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21, 37H,6-19,22-36H2,1-5H3/b21-20-/t37-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCC/C=C\CCCCCCCC)=O)COCCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |