In-Silico Structure database (LMISSD)
| |
LM ID | LMGP04019BFV |
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Common Name | PG(18:1(17Z)/13:0) |
Systematic Name | 1-(13Z-octadecenoyl)-2-tridecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) |
Synonyms | PG(31:1); PG(13:0_18:1) |
Exact Mass | |
Formula | C37H71O10P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerols [GP04] |
Sub Class | Diacylglycerophosphoglycerols [GP0401] |
PubChem Compound ID (CID) | - |
InChIKey | IBDLKWBFYFMIPT-OIDHKYIRSA-N |
InChI | InChI=1S/C37H71O10P/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-36(40)44-32-3 5(33-46-48(42,43)45-31-34(39)30-38)47-37(41)29-27-25-23-20-14-12-10-8-6-4-2/h3,3 4-35,38-39H,1,4-33H2,2H3,(H,42,43)/t34-,35+/m0/s1 |
SMILES | [H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCC=C)=O)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |