In-Silico Structure database (LMISSD)
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LM ID | LMGP05029AKE |
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Common Name | PGP(O-16:1(9Z)/18:4(6Z,9Z,12Z,15Z)) |
Systematic Name | 1-(9Z-hexadecenyl)-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycero-3-phospho- (1'-sn-glycerol-3'-phosphate) |
Synonyms | PGP(O-34:5); PGP(O-16:1/18:4) |
Exact Mass | |
Formula | C40H72O12P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphates [GP05] |
Sub Class | 1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502] |
PubChem Compound ID (CID) | - |
InChIKey | ZLFFIQNENWKVAV-OEWJCJSVSA-N |
InChI | InChI=1S/C40H72O12P2/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/h5,7,11,13-14,16-17,19,22,24,38-39,41H,3-4,6,8-10,12,15,18,20-21, 23,25-37H2,1-2H3,(H,46,47)(H2,43,44,45)/b7-5-,13-11-,16-14-,19-17-,24-22-/t38-,3 9+/m0/s1 |
SMILES | [C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O )=O)COCCCCCCCC/C=C\CCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |