Marvin 01171310322D 31 30 0 0 0 0 999 V2000 22.9446 -10.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7927 -9.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6409 -10.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4892 -9.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3374 -10.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1857 -9.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0341 -10.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0342 -11.4174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8824 -9.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7309 -10.0879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8827 -12.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7311 -11.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8864 -8.0922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0964 -9.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2482 -10.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4000 -9.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5518 -10.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7036 -9.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8554 -10.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5518 -11.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1857 -13.4118 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.8828 -13.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0343 -14.0766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1778 -12.0822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3316 -14.0852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4853 -13.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6390 -14.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7928 -13.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9465 -14.0852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6390 -15.4152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5143 -14.6941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7 6 1 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 12 10 1 0 0 0 0 12 11 1 0 0 0 0 9 13 2 0 0 0 0 14 1 1 0 0 0 0 2 1 1 0 0 0 0 4 3 1 0 0 0 0 2 3 1 0 0 0 0 6 5 1 0 0 0 0 4 5 1 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 17 20 1 0 0 0 0 11 8 1 0 0 0 0 22 11 1 0 0 0 0 23 21 1 0 0 0 0 23 22 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 27 30 1 0 0 0 0 21 31 1 0 0 0 0 M END > CHEBI:71621 > bacilysocin > 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. > 3 > 1-(12-methyltetradecanoyl)-3-phosphoglyceroglycerol > 3-{[(2,3-dihydroxypropoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl 12-methyltetradecanoate > C21H43O9P > 470.53450 > 470.26447 > 0 > CCC(C)CCCCCCCCCCC(=O)OCC(O)COP(O)(=O)OCC(O)CO > 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) > DIGHTWUQPWHBPG-UHFFFAOYSA-N > 10044462 > 11796336 $$$$