In-Silico Structure database (LMISSD)
| |
LM ID | LMGP04029AN6 |
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Common Name | PG(O-18:1(11Z)/12:0) |
Systematic Name | 1-(11Z-octadecenyl)-2-dodecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) |
Synonyms | PG(O-30:1); PG(O-18:1/12:0) |
Exact Mass | |
Formula | C36H71O9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerols [GP04] |
Sub Class | 1-alkyl,2-acylglycerophosphoglycerols [GP0402] |
PubChem Compound ID (CID) | - |
InChIKey | VSZWZCHBDIMJGL-DGSJFYPHSA-N |
InChI | InChI=1S/C36H71O9P/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-29-42-32-35(33 -44-46(40,41)43-31-34(38)30-37)45-36(39)28-26-24-22-20-12-10-8-6-4-2/h13-14,34-3 5,37-38H,3-12,15-33H2,1-2H3,(H,40,41)/b14-13-/t34-,35+/m0/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)COCCCCCCCCCC/C=C\CCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |