In-Silico Structure database (LMISSD)
| |
LM ID | LMGP04029A4C |
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Common Name | PG(O-22:0/13:0) |
Systematic Name | 1-docosyl-2-tridecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) |
Synonyms | PG(O-35:0); PG(O-22:0/13:0) |
Exact Mass | |
Formula | C41H83O9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerols [GP04] |
Sub Class | 1-alkyl,2-acylglycerophosphoglycerols [GP0402] |
PubChem Compound ID (CID) | - |
InChIKey | BPBBDGLPRIDQNO-IOLBBIBUSA-N |
InChI | InChI=1S/C41H83O9P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34 -47-37-40(38-49-51(45,46)48-36-39(43)35-42)50-41(44)33-31-29-27-25-14-12-10-8-6- 4-2/h39-40,42-43H,3-38H2,1-2H3,(H,45,46)/t39-,40+/m0/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)COCCCCCCCCCCCCCCCCCCCC CC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |