In-Silico Structure database (LMISSD)
| |
LM ID | LMGP04019ABK |
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Common Name | PG(10:0/20:4(5Z,8Z,11Z,13E)) |
Systematic Name | 1-decanoyl-2-(5Z,8Z,11Z,13E-eicosatetraenoyl)-sn-glycero-3-phospho-(1'-sn- glycerol) |
Synonyms | PG(30:4); PG(10:0_20:4) |
Exact Mass | |
Formula | C36H63O10P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerols [GP04] |
Sub Class | Diacylglycerophosphoglycerols [GP0401] |
PubChem Compound ID (CID) | - |
InChIKey | SQLVRDUXTVPEMD-MVOZGHKMSA-N |
InChI | InChI=1S/C36H63O10P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-36(40)4 6-34(32-45-47(41,42)44-30-33(38)29-37)31-43-35(39)27-25-23-21-10-8-6-4-2/h12-15, 17-18,20,22,33-34,37-38H,3-11,16,19,21,23-32H2,1-2H3,(H,41,42)/b13-12+,15-14-,18 -17-,22-20-/t33-,34+/m0/s1 |
SMILES | [H][C@](O)(CO)COP(OC[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C=C\CCCCCC)=O)COC(CCCCCCCCC )=O)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |