In-Silico Structure database (LMISSD)
| |
LM ID | LMGP04029AXE |
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Common Name | PG(O-20:1(9Z)/12:0) |
Systematic Name | 1-(9Z-eicosenyl)-2-dodecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) |
Synonyms | PG(O-32:1); PG(O-20:1/12:0) |
Exact Mass | |
Formula | C38H75O9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerols [GP04] |
Sub Class | 1-alkyl,2-acylglycerophosphoglycerols [GP0402] |
PubChem Compound ID (CID) | - |
InChIKey | UTLPJJNXQJTQCX-FMECKOKGSA-N |
InChI | InChI=1S/C38H75O9P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29-31-44-34 -37(35-46-48(42,43)45-33-36(40)32-39)47-38(41)30-28-26-24-22-12-10-8-6-4-2/h17-1 8,36-37,39-40H,3-16,19-35H2,1-2H3,(H,42,43)/b18-17-/t36-,37+/m0/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)COCCCCCCCC/C=C\CCCCCCCC CC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |