In-Silico Structure database (LMISSD)
| |
LM ID | LMGP05019AH8 |
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Common Name | PGP(13:0/20:1(11Z)) |
Systematic Name | 1-tridecanoyl-2-(11Z-eicosenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'- phosphate) |
Synonyms | PGP(33:1); PGP(13:0_20:1) |
Exact Mass | |
Formula | C39H76O13P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphates [GP05] |
Sub Class | Diacylglycerophosphoglycerophosphates [GP0501] |
PubChem Compound ID (CID) | - |
InChIKey | DEOFMSHUPJYQEN-WQQOROIJSA-N |
InChI | InChI=1S/C39H76O13P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-39(42) 52-37(35-51-54(46,47)50-33-36(40)32-49-53(43,44)45)34-48-38(41)30-28-26-24-22-14 -12-10-8-6-4-2/h16-17,36-37,40H,3-15,18-35H2,1-2H3,(H,46,47)(H2,43,44,45)/b17-16 -/t36-,37+/m0/s1 |
SMILES | [H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCCC CCCC)=O)(=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |