In-Silico Structure database (LMISSD)
| |
LM ID | LMGP04019AA6 |
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Common Name | PG(10:0/18:4(6Z,9Z,12Z,15Z)) |
Systematic Name | 1-decanoyl-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycero-3-phospho-(1'-sn- glycerol) |
Synonyms | PG(28:4); PG(10:0_18:4) |
Exact Mass | |
Formula | C34H59O10P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerols [GP04] |
Sub Class | Diacylglycerophosphoglycerols [GP0401] |
PubChem Compound ID (CID) | - |
InChIKey | CBDMEVMARGOEQU-RUQVWCRYSA-N |
InChI | InChI=1S/C34H59O10P/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-34(38)44-32(3 0-43-45(39,40)42-28-31(36)27-35)29-41-33(37)25-23-21-19-10-8-6-4-2/h5,7,11-12,14 -15,17-18,31-32,35-36H,3-4,6,8-10,13,16,19-30H2,1-2H3,(H,39,40)/b7-5-,12-11-,15- 14-,18-17-/t31-,32+/m0/s1 |
SMILES | [H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCC) =O)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |