In-Silico Structure database (LMISSD)
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LM ID | LMGP04029ABU |
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Common Name | PG(O-14:0/22:5(4Z,7Z,10Z,13Z,16Z)) |
Systematic Name | 1-tetradecyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phospho-(1'- sn-glycerol) |
Synonyms | PG(O-36:5); PG(O-14:0/22:5) |
Exact Mass | |
Formula | C42H75O9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerols [GP04] |
Sub Class | 1-alkyl,2-acylglycerophosphoglycerols [GP0402] |
PubChem Compound ID (CID) | - |
InChIKey | CSEFXWQUNRZYTB-KMWGJYPTSA-N |
InChI | InChI=1S/C42H75O9P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-42 (45)51-41(39-50-52(46,47)49-37-40(44)36-43)38-48-35-33-31-29-27-25-16-14-12-10-8 -6-4-2/h11,13,17-18,20-21,23-24,28,30,40-41,43-44H,3-10,12,14-16,19,22,25-27,29, 31-39H2,1-2H3,(H,46,47)/b13-11-,18-17-,21-20-,24-23-,30-28-/t40-,41+/m0/s1 |
SMILES | [C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)C O)COCCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |