Molecule ID: 10344650

IUPAC Name: [3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] 12-methyltetradecanoate

Description: The molecule is a carboxylic ester resulting from the formal condensation of the carboxylic acid group of 12-methyltetradecanoic acide with one of the primary alcoholic hydroxy groups of glycerophosphoglycerol. An antibiotic obtained from Bacillus subtilis 168, it has particular activity against certain fungi. The stereochemistries of the hydroxy groups at positions C-2 and C-2' and the methyl group at position C-12 have not been determined. It has a role as an antimicrobial agent, an antibacterial agent, an antifungal agent and a metabolite. It is a monoacylglycerol phosphate, a carboxylic ester and a member of glycerophosphoglycerols. It derives from a 12-methyltetradecanoic acid.

SMILES: CCC(C)CCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(O)CO

SELFIES: [C][C][C][Branch1][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C][Branch1][C][O][C][O]

InChI: InChI=1S/C21H43O9P/c1-3-18(2)12-10-8-6-4-5-7-9-11-13-21(25)28-15-20(24)17-30-31(26,27)29-16-19(23)14-22/h18-20,22-24H,3-17H2,1-2H3,(H,26,27)

Molecular Properties:
- Polar Surface Area: 143.0 Ų
- LogP: 3.4