In-Silico Structure database (LMISSD)
| |
LM ID | LMGP04039DDR |
---|---|
Common Name | PG(P-14:0/17:1(9Z)) |
Systematic Name | 1-(1Z-tetradecenyl)-2-(9Z-heptadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol) |
Synonyms | PG(P-31:1); PG(P-14:0/17:1) |
Exact Mass | |
Formula | C37H71O9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerols [GP04] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoglycerols [GP0403] |
PubChem Compound ID (CID) | - |
InChIKey | QVSYXNQUOLTNIH-NUFJCYQISA-N |
InChI | InChI=1S/C37H71O9P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-37(40)46-36(34-45 -47(41,42)44-32-35(39)31-38)33-43-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h15,17,2 8,30,35-36,38-39H,3-14,16,18-27,29,31-34H2,1-2H3,(H,41,42)/b17-15-,30-28-/t35-,3 6+/m0/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)CO/C=C\CCCCCCCC CCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |