156963099 CDK 0425242201 36 37 0 0 0 0 0 0 0 0999 V2000 6.2814 -4.2235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5377 -3.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2178 -5.1777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1795 -2.9954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8596 -6.0617 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1159 -3.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8596 -4.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9232 -3.7795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -4.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -5.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3411 -5.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2431 -2.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -4.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9868 -2.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0504 -1.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4742 -4.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -6.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3066 -1.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -4.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -5.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1139 -0.9166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3702 -0.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1775 0.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4338 0.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2411 0.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4973 1.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3046 1.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3682 2.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5609 2.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6245 3.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6880 4.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4318 3.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4954 4.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5589 5.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7516 5.5936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8152 6.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 14 2 0 0 0 0 3 16 2 0 0 0 0 4 8 1 0 0 0 0 4 14 1 0 0 0 0 5 10 1 0 0 0 0 5 11 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 7 11 2 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 10 17 2 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 19 1 0 0 0 0 15 18 1 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 32 2 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 33 35 2 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 M END > CHEBI:230618 > N-Eicosapentaenoyl Tryptophan > 2 > 2-[[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]amino]-3-(1H-indol-3-yl)propanoic acid > C31H40N2O3 > 488.672 > 488.30389 > 0 > OC(=O)C(NC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC)CC=1C=2C(NC1)=CC=CC2 > InChI=1S/C31H40N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-30(34)33-29(31(35)36)24-26-25-32-28-22-20-19-21-27(26)28/h3-4,6-7,9-10,12-13,15-16,19-22,25,29,32H,2,5,8,11,14,17-18,23-24H2,1H3,(H,33,34)(H,35,36)/b4-3+,7-6+,10-9+,13-12+,16-15+ > YZGJMCYDDFORAO-RCHUDCCISA-N $$$$