In-Silico Structure database (LMISSD)
| |
LM ID | LMGP05029AOZ |
---|---|
Common Name | PGP(O-18:1(11Z)/18:3(9Z,12Z,15Z)) |
Systematic Name | 1-(11Z-octadecenyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phospho-(1'- sn-glycerol-3'-phosphate) |
Synonyms | PGP(O-36:4); PGP(O-18:1/18:3) |
Exact Mass | |
Formula | C42H78O12P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphates [GP05] |
Sub Class | 1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502] |
PubChem Compound ID (CID) | - |
InChIKey | HFTNAPNUOGNBQZ-FGWBAZLDSA-N |
InChI | InChI=1S/C42H78O12P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-50-38-41( 39-53-56(48,49)52-37-40(43)36-51-55(45,46)47)54-42(44)34-32-30-28-26-24-22-20-18 -16-14-12-10-8-6-4-2/h6,8,12-15,18,20,40-41,43H,3-5,7,9-11,16-17,19,21-39H2,1-2H 3,(H,48,49)(H2,45,46,47)/b8-6-,14-12-,15-13-,20-18-/t40-,41+/m0/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O )COCCCCCCCCCC/C=C\CCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |