In-Silico Structure database (LMISSD)
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LM ID | LMGP04039ABN |
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Common Name | PG(P-16:0/20:4(7E,10E,13E,16E)) |
Systematic Name | 1-(1Z-hexadecenyl)-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3-phospho- (1'-sn-glycerol) |
Synonyms | PG(P-36:4); PG(P-16:0/20:4) |
Exact Mass | |
Formula | C42H75O9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerols [GP04] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoglycerols [GP0403] |
PubChem Compound ID (CID) | - |
InChIKey | DLJKEDKFQIRMFH-GQFCZOCASA-N |
InChI | InChI=1S/C42H75O9P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-42(45)51 -41(39-50-52(46,47)49-37-40(44)36-43)38-48-35-33-31-29-27-25-23-18-16-14-12-10-8 -6-4-2/h7,9,13,15,19-20,22,24,33,35,40-41,43-44H,3-6,8,10-12,14,16-18,21,23,25-3 2,34,36-39H2,1-2H3,(H,46,47)/b9-7+,15-13+,20-19+,24-22+,35-33-/t40-,41+/m0/s1 |
SMILES | [C@]([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)CO/ C=C\CCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |