In-Silico Structure database (LMISSD)
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LM ID | LMGP05019AQ9 |
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Common Name | PGP(15:1(9Z)/18:3(6Z,9Z,12Z)) |
Systematic Name | 1-(9Z-pentadecenoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phospho-(1'- sn-glycerol-3'-phosphate) |
Synonyms | PGP(33:4); PGP(15:1_18:3) |
Exact Mass | |
Formula | C39H70O13P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphates [GP05] |
Sub Class | Diacylglycerophosphoglycerophosphates [GP0501] |
PubChem Compound ID (CID) | - |
InChIKey | VWDCFULGKRALMT-JWKHLBBNSA-N |
InChI | InChI=1S/C39H70O13P2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-39(42)52-37( 35-51-54(46,47)50-33-36(40)32-49-53(43,44)45)34-48-38(41)30-28-26-24-22-20-16-14 -12-10-8-6-4-2/h11-14,17-18,21,23,36-37,40H,3-10,15-16,19-20,22,24-35H2,1-2H3,(H ,46,47)(H2,43,44,45)/b13-11-,14-12-,18-17-,23-21-/t36-,37+/m0/s1 |
SMILES | [H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCC CCC/C=C\CCCCC)=O)(=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |