In-Silico Structure database (LMISSD)
| |
LM ID | LMGP05019DFA |
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Common Name | PGP(20:4(7E,10E,13E,16E)/11:0) |
Systematic Name | 1-(7E,10E,13E,16E-eicosatetraenoyl)-2-undecanoyl-sn-glycero-3-phospho-(1'-sn- glycerol-3'-phosphate) |
Synonyms | PGP(31:4); PGP(11:0_20:4) |
Exact Mass | |
Formula | C37H66O13P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphates [GP05] |
Sub Class | Diacylglycerophosphoglycerophosphates [GP0501] |
PubChem Compound ID (CID) | - |
InChIKey | YWDNTZXLFQASBP-CPWBMNQJSA-N |
InChI | InChI=1S/C37H66O13P2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-24-26-28-36(39) 46-32-35(50-37(40)29-27-25-22-12-10-8-6-4-2)33-49-52(44,45)48-31-34(38)30-47-51( 41,42)43/h7,9,13-14,16-17,19-20,34-35,38H,3-6,8,10-12,15,18,21-33H2,1-2H3,(H,44, 45)(H2,41,42,43)/b9-7+,14-13+,17-16+,20-19+/t34-,35+/m0/s1 |
SMILES | [H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCCCCCCC)=O)COC(CCCCC/C=C/C/C=C/C/C= C/C/C=C/CCC)=O)(=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |