In-Silico Structure database (LMISSD)
| |
LM ID | LMGP05029AQ9 |
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Common Name | PGP(O-18:1(9Z)/18:3(6Z,9Z,12Z)) |
Systematic Name | 1-(9Z-octadecenyl)-2-(6Z,9Z,12Z-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 | LORDLPCZZLWVCZ-UCHAIHKSSA-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/h12,14,17-20,24,26,40-41,43H,3-11,13,15-16,21-23,25,27-39H2 ,1-2H3,(H,48,49)(H2,45,46,47)/b14-12-,19-17-,20-18-,26-24-/t40-,41+/m0/s1 |
SMILES | [C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O )COCCCCCCCC/C=C\CCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |