In-Silico Structure database (LMISSD)
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LM ID | LMGP01029AK3 |
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Common Name | PC(O-16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) |
Systematic Name | 1-(9Z-hexadecenyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3- phosphocholine |
Synonyms | PC(O-38:6); PC(O-16:1/22:5) |
Exact Mass | |
Formula | C46H82NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-alkyl,2-acylglycerophosphocholines [GP0102] |
PubChem Compound ID (CID) | - |
InChIKey | KZDPOECNBMTMCM-GOXCMJDFSA-N |
InChI | InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39 -46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-21-19-1 7-15-13-11-9-7-2/h8,10,14,16-17,19-20,22,24-25,27,29,45H,6-7,9,11-13,15,18,21,23 ,26,28,30-44H2,1-5H3/b10-8-,16-14-,19-17-,22-20-,25-24-,29-27-/t45-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)= O)COCCCCCCCC/C=C\CCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |