In-Silico Structure database (LMISSD)
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LM ID | LMGP04029ARS |
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Common Name | PG(O-18:1(9Z)/20:4(7E,10E,13E,16E)) |
Systematic Name | 1-(9Z-octadecenyl)-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3-phospho- (1'-sn-glycerol) |
Synonyms | PG(O-38:5); PG(O-18:1/20:4) |
Exact Mass | |
Formula | C44H79O9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerols [GP04] |
Sub Class | 1-alkyl,2-acylglycerophosphoglycerols [GP0402] |
PubChem Compound ID (CID) | - |
InChIKey | BTTVPTWMISNZTR-NWMBQRRSSA-N |
InChI | InChI=1S/C44H79O9P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-44(47)53 -43(41-52-54(48,49)51-39-42(46)38-45)40-50-37-35-33-31-29-27-25-23-20-18-16-14-1 2-10-8-6-4-2/h7,9,13,15,18-21,24,26,42-43,45-46H,3-6,8,10-12,14,16-17,22-23,25,2 7-41H2,1-2H3,(H,48,49)/b9-7+,15-13+,20-18-,21-19+,26-24+/t42-,43+/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)COC CCCCCCC/C=C\CCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |