In-Silico Structure database (LMISSD)
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LM ID | LMGP05029AKQ |
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Common Name | PGP(O-16:1(9Z)/20:4(5E,8E,11E,14E)) |
Systematic Name | 1-(9Z-hexadecenyl)-2-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycero-3-phospho-(1'- sn-glycerol-3'-phosphate) |
Synonyms | PGP(O-36:5); PGP(O-16:1/20:4) |
Exact Mass | |
Formula | C42H76O12P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphates [GP05] |
Sub Class | 1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502] |
PubChem Compound ID (CID) | - |
InChIKey | HJMLDADYLFONAM-XTZVLVNBSA-N |
InChI | InChI=1S/C42H76O12P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-42(44) 54-41(39-53-56(48,49)52-37-40(43)36-51-55(45,46)47)38-50-35-33-31-29-27-25-23-18 -16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,26,28,40-41,43H,3-10,12,15,18,20,2 3-25,27,29-39H2,1-2H3,(H,48,49)(H2,45,46,47)/b13-11+,16-14-,19-17+,22-21+,28-26+ /t40-,41+/m0/s1 |
SMILES | [C@]([H])(OC(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O) (O)=O)COCCCCCCCC/C=C\CCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |