10321153 CDK 1106201723 32 33 0 0 0 0 0 0 0 0999 V2000 6.5377 -2.4849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2814 -3.2691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2178 -4.2235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1795 -2.0410 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8596 -5.1074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4338 1.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2411 1.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1775 0.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4973 2.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3702 0.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3046 2.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1139 0.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5609 3.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3066 -0.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3682 3.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0504 -0.9166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6245 4.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2431 -1.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9232 -2.8252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4318 4.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1159 -2.9954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9868 -1.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8596 -3.7795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -4.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -4.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6880 5.5936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3411 -4.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4742 -3.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -3.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -5.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -4.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -4.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 22 2 0 0 0 0 2 28 1 0 0 0 0 3 28 2 0 0 0 0 19 4 1 6 0 0 0 4 22 1 0 0 0 0 5 25 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 20 1 0 0 0 0 18 22 1 0 0 0 0 19 21 1 0 0 0 0 19 28 1 0 0 0 0 20 26 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 27 2 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 30 2 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 31 32 2 0 0 0 0 M END > CHEBI:165560 > N-Palmitoyl tryptophan > 2 > (2S)-2-(hexadecanoylamino)-3-(1H-indol-3-yl)propanoic acid > C27H42N2O3 > 442.644 > 442.31954 > 0 > O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)CCCCCCCCCCCCCCC > InChI=1S/C27H42N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-26(30)29-25(27(31)32)20-22-21-28-24-18-16-15-17-23(22)24/h15-18,21,25,28H,2-14,19-20H2,1H3,(H,29,30)(H,31,32)/t25-/m0/s1 > YFPVRCYDDXYINM-VWLOTQADSA-N > LMFA08020095 $$$$