In-Silico Structure database (LMISSD)
| |
LM ID | LMGP04029AVD |
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Common Name | PG(O-20:1(11Z)/17:1(9Z)) |
Systematic Name | 1-(11Z-eicosenyl)-2-(9Z-heptadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol) |
Synonyms | PG(O-37:2); PG(O-20:1/17:1) |
Exact Mass | |
Formula | C43H83O9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerols [GP04] |
Sub Class | 1-alkyl,2-acylglycerophosphoglycerols [GP0402] |
PubChem Compound ID (CID) | - |
InChIKey | JWISKOFXTFYNEL-NPXICPOPSA-N |
InChI | InChI=1S/C43H83O9P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-49-39 -42(40-51-53(47,48)50-38-41(45)37-44)52-43(46)35-33-31-29-27-25-23-18-16-14-12-1 0-8-6-4-2/h16-19,41-42,44-45H,3-15,20-40H2,1-2H3,(H,47,48)/b18-16-,19-17-/t41-,4 2+/m0/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)COCCCCCCCCCC/C= C\CCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |