In-Silico Structure database (LMISSD)
| |
LM ID | LMGP05029AIE |
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Common Name | PGP(O-16:1(11Z)/20:3(8Z,11Z,14Z)) |
Systematic Name | 1-(11Z-hexadecenyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phospho-(1'-sn- glycerol-3'-phosphate) |
Synonyms | PGP(O-36:4); PGP(O-16:1/20:3) |
Exact Mass | |
Formula | C42H78O12P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphates [GP05] |
Sub Class | 1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502] |
PubChem Compound ID (CID) | - |
InChIKey | ROOVIYWBRGEVDY-GACIFQBCSA-N |
InChI | InChI=1S/C42H78O12P2/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/h10-13,17,19,21-22,40-41,43H,3-9,14-16,18,20,23-39H2,1-2H3, (H,48,49)(H2,45,46,47)/b12-10-,13-11-,19-17-,22-21-/t40-,41+/m0/s1 |
SMILES | [C@]([H])(OC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O) =O)COCCCCCCCCCC/C=C\CCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |