Ketcher 04071611472D 1 1.00000 0.00000 0 57 56 0 1 0 999 V2000 11.2117 -5.6938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0734 -6.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0734 -7.1883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9354 -5.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8036 -6.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6723 -5.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5413 -6.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4098 -5.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2785 -6.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1475 -5.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0160 -6.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4873 -4.6925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3491 -4.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2114 -4.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0731 -4.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9351 -4.6925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7971 -4.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7971 -3.1981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6589 -4.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -4.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3961 -4.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2648 -4.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1335 -4.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0022 -4.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8710 -4.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7367 -4.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7338 -3.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2589 -3.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1277 -2.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9962 -3.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8651 -2.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2785 -7.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1472 -7.6914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0160 -7.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6286 -4.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7697 -4.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9112 -4.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0523 -4.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1939 -4.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3353 -4.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4765 -4.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6286 -3.2040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6010 -4.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5840 -5.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1772 -6.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3187 -5.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4335 -6.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4128 -7.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5441 -7.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6784 -7.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8096 -7.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0528 -5.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9113 -6.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4682 -3.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4682 -4.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6009 -2.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6009 -4.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 2 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 14 1 1 6 0 0 17 18 2 0 0 0 17 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 16 17 1 0 0 0 25 26 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 27 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 36 35 1 0 0 0 42 35 2 0 0 0 37 36 1 0 0 0 37 38 1 0 0 0 39 38 1 0 0 0 39 40 1 0 0 0 41 40 1 0 0 0 41 43 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 44 1 0 0 0 12 35 1 0 0 0 11 34 1 0 0 0 32 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 43 44 1 0 0 0 45 52 1 0 0 0 52 53 1 0 0 0 55 54 1 0 0 0 56 54 1 0 0 0 57 55 1 0 0 0 27 56 1 0 0 0 26 57 1 0 0 0 M END > CHEBI:108633 > 1-tetradecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol > A triacyl-sn-glycerol in which the which the acyl groups at positions 1, 2 and 3 are specified as tetradecanoyl, hexadecanoyl and octadecanoyl respectively. > 3 > TG(14:0/16:0/18:0)[iso6]; TG(14:0/16:0/18:0); 1-myristoyl-2-palmitoyl-3-stearoyl-sn-glycerol > (2R)-2-(hexadecanoyloxy)-3-(tetradecanoyloxy)propyl octadecanoate > C51H98O6 > 807.322 > 806.73634 > 0 > O(C(=O)CCCCCCCCCCCCCCC)[C@H](COC(CCCCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCCCCCCCC > InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3/t48-/m1/s1 > JTDPHURHZMZJHD-QSCHNALKSA-N > LMGL03014225 > 24114462 $$$$