In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01029AHC |
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Common Name | PC(O-16:1(11Z)/14:1(9Z)) |
Systematic Name | 1-(11Z-hexadecenyl)-2-(9Z-tetradecenoyl)-sn-glycero-3-phosphocholine |
Synonyms | PC(O-30:2); PC(O-16:1/14:1) |
Exact Mass | |
Formula | C38H74NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-alkyl,2-acylglycerophosphocholines [GP0102] |
PubChem Compound ID (CID) | - |
InChIKey | ORRJGBUYDHCMAM-XHROJGCISA-N |
InChI | InChI=1S/C38H74NO7P/c1-6-8-10-12-14-16-18-19-20-22-24-26-28-30-33-43-35-37(36-45 -47(41,42)44-34-32-39(3,4)5)46-38(40)31-29-27-25-23-21-17-15-13-11-9-7-2/h12-15, 37H,6-11,16-36H2,1-5H3/b14-12-,15-13-/t37-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=C\CCCC)=O)COCCCCCCCCCC/C=C\C CCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |