Ketcher 04172016252D 1 1.00000 0.00000 0 84 87 0 1 0 999 V2000 58.6745 -28.6258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 58.4662 -29.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 59.2105 -30.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 60.1629 -29.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 60.9071 -30.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 59.6269 -28.3165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 57.9303 -27.9559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 60.3712 -28.9866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 57.5138 -29.9149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 56.7696 -29.2449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 55.8172 -29.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 55.6090 -30.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 56.9778 -28.2652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 56.3532 -31.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 57.3056 -30.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 58.0498 -31.5645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 57.8416 -32.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 56.8891 -32.8536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 56.1449 -32.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 55.0729 -28.8842 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 54.1205 -29.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.3763 -28.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.5845 -27.5440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.9122 -30.1733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 54.5369 -27.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 54.7452 -26.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 55.6976 -25.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 56.4418 -26.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 56.2335 -27.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 55.2811 -27.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 57.3943 -26.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 52.4239 -28.8330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 49.9170 -27.8838 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 50.7271 -28.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.4177 -29.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.4162 -29.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.1068 -28.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.6797 -28.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.8878 -27.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 49.9170 -26.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.0497 -26.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.7843 -26.3815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 48.1825 -26.8823 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 47.3151 -26.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.4478 -26.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.4478 -27.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.3151 -28.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.3151 -29.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.2955 -25.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 48.1825 -29.8867 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 48.1825 -30.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.3151 -31.3888 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 49.0497 -31.3888 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 45.5805 -26.3815 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 44.7133 -26.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.8460 -26.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.8460 -25.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.7133 -24.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.7133 -23.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.7133 -27.8838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 45.5805 -23.3772 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 45.5805 -22.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.4478 -21.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 44.7133 -21.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 42.9787 -26.8823 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 42.1115 -26.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.2441 -26.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.2441 -27.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.1115 -25.3801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.3768 -26.3815 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 39.5096 -26.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.6423 -26.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.7750 -26.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.9077 -26.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.0405 -26.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.5096 -27.8838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.7750 -27.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.6423 -25.3801 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 49.0497 -25.2176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.9344 -23.8781 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 50.8922 -23.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.4666 -24.4056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 50.8639 -25.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.9169 -24.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 7 1 2 0 0 0 6 1 1 0 0 0 4 8 1 0 0 0 11 10 1 0 0 0 11 12 1 0 0 0 13 10 2 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 14 19 1 0 0 0 12 14 1 0 0 0 22 21 1 0 0 0 22 23 1 0 0 0 24 21 2 0 0 0 25 26 2 0 0 0 26 27 1 0 0 0 27 28 2 0 0 0 28 29 1 0 0 0 29 30 2 0 0 0 25 30 1 0 0 0 28 31 1 0 0 0 23 25 1 0 0 0 34 33 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 33 37 1 0 0 0 38 39 2 0 0 0 34 38 1 6 0 0 41 40 1 0 0 0 42 40 2 0 0 0 45 44 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 49 44 2 0 0 0 51 52 2 0 0 0 51 53 1 0 0 0 50 51 1 0 0 0 48 50 1 0 0 0 56 55 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 60 55 2 0 0 0 62 63 1 0 0 0 62 64 2 0 0 0 61 62 1 0 0 0 59 61 1 0 0 0 67 66 1 0 0 0 67 68 1 6 0 0 69 66 2 0 0 0 72 71 1 0 0 0 72 73 1 0 0 0 73 74 1 0 0 0 74 75 1 0 0 0 76 71 2 0 0 0 73 77 1 1 0 0 72 78 1 6 0 0 70 71 1 0 0 0 67 70 1 0 0 0 65 66 1 0 0 0 56 65 1 1 0 0 54 55 1 0 0 0 45 54 1 6 0 0 43 44 1 0 0 0 41 43 1 1 0 0 33 40 1 0 0 0 32 38 1 0 0 0 22 32 1 1 0 0 20 21 1 0 0 0 11 20 1 6 0 0 9 10 1 0 0 0 2 9 1 6 0 0 41 79 1 0 0 0 80 81 1 0 0 0 81 82 2 0 0 0 82 83 1 0 0 0 83 84 2 0 0 0 80 84 1 0 0 0 79 84 1 0 0 0 M END > CHEBI:80144 > kinetensin > An oligopeptide comprising of nine amino acids with sequence L-Ile-L-Ala-L-Arg-L-Arg-L-His-L-Pro-L-Tyr-L-Phe-L-Leu. It was originally isolated from pepsin-treated human plasma and shares some sequence homology with the C-terminal end of neurotensin. It is a potent histamine releaser and may serve as an inflammatory mediator. > 3 > L-Ile-L-Ala-L-Arg-L-Arg-L-His-L-Pro-L-Tyr-L-Phe-L-Leu; kinetensin (human); Ile-Ala-Arg-Arg-His-Pro-Tyr-Phe-Leu; IARRHPYFL; I-A-R-R-H-P-Y-F-L; H-Ile-Ala-Arg-Arg-His-Pro-Tyr-Phe-Leu-OH > L-isoleucyl-L-alanyl-L-arginyl-L-arginyl-L-histidyl-L-prolyl-L-tyrosyl-L-phenylalanyl-L-leucine > C56H85N17O11 > 1172.404 > 1171.66145 > 0 > C([C@H](CC(C)C)NC([C@H](CC1=CC=CC=C1)NC([C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H]3N(CCC3)C([C@@H](NC([C@H](CCCNC(=N)N)NC([C@H](CCCNC(N)=N)NC([C@H](C)NC([C@H]([C@H](CC)C)N)=O)=O)=O)=O)CC4=CN=CN4)=O)=O)=O)(=O)O > InChI=1S/C56H85N17O11/c1-6-32(4)45(57)52(81)66-33(5)46(75)67-38(15-10-22-63-55(58)59)47(76)68-39(16-11-23-64-56(60)61)48(77)71-42(28-36-29-62-30-65-36)53(82)73-24-12-17-44(73)51(80)70-41(27-35-18-20-37(74)21-19-35)49(78)69-40(26-34-13-8-7-9-14-34)50(79)72-43(54(83)84)25-31(2)3/h7-9,13-14,18-21,29-33,38-45,74H,6,10-12,15-17,22-28,57H2,1-5H3,(H,62,65)(H,66,81)(H,67,75)(H,68,76)(H,69,78)(H,70,80)(H,71,77)(H,72,79)(H,83,84)(H4,58,59,63)(H4,60,61,64)/t32-,33-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1 > PANUJGMSOSQAAY-IHXGQVBNSA-N > 103131-69-7 > 103131-69-7 > C15872 > 1800960; 2117773; 23802150; 2437111; 2473637; 3087352; 8013539; 8213349 $$$$