In-Silico Structure database (LMISSD)
| |
LM ID | LMGP04029AAK |
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Common Name | PG(O-14:0/16:1(9Z)) |
Systematic Name | 1-tetradecyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol) |
Synonyms | PG(O-30:1); PG(O-14:0/16:1) |
Exact Mass | |
Formula | C36H71O9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerols [GP04] |
Sub Class | 1-alkyl,2-acylglycerophosphoglycerols [GP0402] |
PubChem Compound ID (CID) | - |
InChIKey | XQMGPKXNNYPBRJ-RLMMGFKESA-N |
InChI | InChI=1S/C36H71O9P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-36(39)45-35(33-44-46 (40,41)43-31-34(38)30-37)32-42-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,34-3 5,37-38H,3-12,14,16-33H2,1-2H3,(H,40,41)/b15-13-/t34-,35+/m0/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C\CCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)COCCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |