In-Silico Structure database (LMISSD)
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LM ID | LMGP05019DC1 |
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Common Name | PGP(20:4(6E,8Z,11Z,14Z)/13:0) |
Systematic Name | 1-(6E,8Z,11Z,14Z-eicosatetraenoyl)-2-tridecanoyl-sn-glycero-3-phospho-(1'-sn- glycerol-3'-phosphate) |
Synonyms | PGP(33:4); PGP(13:0_20:4) |
Exact Mass | |
Formula | C39H70O13P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphates [GP05] |
Sub Class | Diacylglycerophosphoglycerophosphates [GP0501] |
PubChem Compound ID (CID) | - |
InChIKey | XANUHKZZAJQAGB-DBIIDPFXSA-N |
InChI | InChI=1S/C39H70O13P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-24-26-28-30-38(41) 48-34-37(35-51-54(46,47)50-33-36(40)32-49-53(43,44)45)52-39(42)31-29-27-25-22-14 -12-10-8-6-4-2/h11,13,16-17,19-21,23,36-37,40H,3-10,12,14-15,18,22,24-35H2,1-2H3 ,(H,46,47)(H2,43,44,45)/b13-11-,17-16-,20-19-,23-21+/t36-,37+/m0/s1 |
SMILES | [H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCCCCCCCCC)=O)COC(CCCC/C=C/C=C\C/C=C \C/C=C\CCCCC)=O)(=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |