In-Silico Structure database (LMISSD)
| |
LM ID | LMGP05029AF0 |
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Common Name | PGP(O-16:0/20:2(11Z,14Z)) |
Systematic Name | 1-hexadecyl-2-(11Z,14Z-eicosadienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'- phosphate) |
Synonyms | PGP(O-36:2); PGP(O-16:0/20:2) |
Exact Mass | |
Formula | C42H82O12P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphates [GP05] |
Sub Class | 1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502] |
PubChem Compound ID (CID) | - |
InChIKey | ADPJEZOPQPONIO-TWOOBQCCSA-N |
InChI | InChI=1S/C42H82O12P2/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/h11,13,17,19,40-41,43H,3-10,12,14-16,18,20-39H2,1-2H3,(H,48 ,49)(H2,45,46,47)/b13-11-,19-17-/t40-,41+/m0/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCC/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O) COCCCCCCCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |