In-Silico Structure database (LMISSD)
| |
LM ID | LMGP05029AJ8 |
---|---|
Common Name | PGP(O-16:1(9Z)/18:2(9E,11E)) |
Systematic Name | 1-(9Z-hexadecenyl)-2-(9E,11E-octadecadienoyl)-sn-glycero-3-phospho-(1'-sn- glycerol-3'-phosphate) |
Synonyms | PGP(O-34:3); PGP(O-16:1/18:2) |
Exact Mass | |
Formula | C40H76O12P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphates [GP05] |
Sub Class | 1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502] |
PubChem Compound ID (CID) | - |
InChIKey | BKJXZRLXDZQXEL-ACSNJPSOSA-N |
InChI | InChI=1S/C40H76O12P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-40(42)52-39( 37-51-54(46,47)50-35-38(41)34-49-53(43,44)45)36-48-33-31-29-27-25-23-21-18-16-14 -12-10-8-6-4-2/h13-17,19,38-39,41H,3-12,18,20-37H2,1-2H3,(H,46,47)(H2,43,44,45)/ b15-13+,16-14-,19-17+/t38-,39+/m0/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C/C=C/CCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)COC CCCCCCC/C=C\CCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |