In-Silico Structure database (LMISSD)
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LM ID | LMGP04029AX9 |
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Common Name | PG(O-20:1(9Z)/18:4(9E,11E,13E,15E)) |
Systematic Name | 1-(9Z-eicosenyl)-2-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycero-3-phospho- (1'-sn-glycerol) |
Synonyms | PG(O-38:5); PG(O-20:1/18:4) |
Exact Mass | |
Formula | C44H79O9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerols [GP04] |
Sub Class | 1-alkyl,2-acylglycerophosphoglycerols [GP0402] |
PubChem Compound ID (CID) | - |
InChIKey | OGGANGMVGXHOGF-PWKKZXNKSA-N |
InChI | InChI=1S/C44H79O9P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-50-40 -43(41-52-54(48,49)51-39-42(46)38-45)53-44(47)36-34-32-30-28-26-24-22-18-16-14-1 2-10-8-6-4-2/h6,8,10,12,14,16,18,20-22,42-43,45-46H,3-5,7,9,11,13,15,17,19,23-41 H2,1-2H3,(H,48,49)/b8-6+,12-10+,16-14+,21-20-,22-18+/t42-,43+/m0/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)COCCCCCC CC/C=C\CCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |