In-Silico Structure database (LMISSD)
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LM ID | LMGP05039ADR |
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Common Name | PGP(P-16:1(11Z)/20:3(5Z,8Z,11Z)) |
Systematic Name | 1-(1Z,11Z-hexadecadienyl)-2-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycero-3-phospho- (1'-sn-glycerol-3'-phosphate) |
Synonyms | PGP(P-36:4); PGP(P-16:1/20:3) |
Exact Mass | |
Formula | C42H76O12P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphates [GP05] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoglycerophosphates [GP0503] |
PubChem Compound ID (CID) | - |
InChIKey | NCVQWVVJZHCLQZ-HXGSYWCYSA-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/h10,12,17,19,21-22,26,28,33,35,40-41,43H,3-9,11,13-16,18,20 ,23-25,27,29-32,34,36-39H2,1-2H3,(H,48,49)(H2,45,46,47)/b12-10-,19-17-,22-21-,28 -26-,35-33-/t40-,41+/m0/s1 |
SMILES | [C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O) =O)CO/C=C\CCCCCCCC/C=C\CCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |