In-Silico Structure database (LMISSD)
| |
LM ID | LMGP05019B7N |
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Common Name | PGP(18:3(6Z,9Z,12Z)/15:1(9Z)) |
Systematic Name | 1-(6Z,9Z,12Z-octadecatrienoyl)-2-(9Z-pentadecenoyl)-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 | PCYFINXIVJJWRZ-MFDPSOGMSA-N |
InChI | InChI=1S/C39H70O13P2/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-38(41)48-34- 37(35-51-54(46,47)50-33-36(40)32-49-53(43,44)45)52-39(42)31-29-27-25-23-20-16-14 -12-10-8-6-4-2/h11-14,17-18,21-22,36-37,40H,3-10,15-16,19-20,23-35H2,1-2H3,(H,46 ,47)(H2,43,44,45)/b13-11-,14-12-,18-17-,22-21-/t36-,37+/m0/s1 |
SMILES | [H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCCCC/C=C\CCCCC)=O)COC(CCCC/C=C\C/C= C\C/C=C\CCCCC)=O)(=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |