In-Silico Structure database (LMISSD)
| |
LM ID | LMGP04019A8X |
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Common Name | PG(18:1(11E)/12:0) |
Systematic Name | 1-(11E-octadecenoyl)-2-dodecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) |
Synonyms | PG(30:1); PG(12:0_18:1) |
Exact Mass | |
Formula | C36H69O10P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerols [GP04] |
Sub Class | Diacylglycerophosphoglycerols [GP0401] |
PubChem Compound ID (CID) | - |
InChIKey | DZNWZDYUXNLBIK-HLVFJQIASA-N |
InChI | InChI=1S/C36H69O10P/c1-3-5-7-9-11-13-14-15-16-17-18-20-21-23-25-27-35(39)43-31-3 4(32-45-47(41,42)44-30-33(38)29-37)46-36(40)28-26-24-22-19-12-10-8-6-4-2/h13-14, 33-34,37-38H,3-12,15-32H2,1-2H3,(H,41,42)/b14-13+/t33-,34+/m0/s1 |
SMILES | [H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCCCCCCCCC)=O)COC(CCCCCCCCC/C=C/CCCCCC)=O)(=O) O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |