Ketcher 04172010222D 1 1.00000 0.00000 0 119123 0 1 0 999 V2000 17.4540 -15.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6533 -15.0997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.1422 -16.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6557 -14.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8462 -15.6846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1547 -16.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7876 -13.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5192 -13.6005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7884 -12.6050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9241 -14.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9195 -12.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0560 -13.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9221 -11.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0586 -12.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1862 -14.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0538 -10.6052 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7854 -10.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3245 -13.5964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1905 -11.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7879 -9.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4547 -14.0920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3224 -10.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1880 -12.1043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9262 -9.1073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6591 -9.1022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4589 -11.1007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3248 -9.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5909 -10.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4567 -9.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7274 -11.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5932 -9.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4591 -8.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7265 -12.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8593 -10.6002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3297 -7.5978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5967 -7.6030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8573 -12.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8618 -9.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9950 -12.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8615 -13.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9935 -9.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7251 -9.1010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1258 -12.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9914 -14.0892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9961 -8.0974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1234 -13.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2599 -14.0879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8648 -7.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8663 -6.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7251 -8.1014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6779 -6.0131 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0615 -6.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3705 -5.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3743 -5.0524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9644 -4.2504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1264 -9.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2593 -9.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2593 -8.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3922 -9.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2970 -15.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3820 -15.7029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.5061 -14.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9682 -16.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5168 -15.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4864 -16.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4600 -14.0141 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.7671 -13.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4666 -16.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6483 -15.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5191 -14.2006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7831 -15.1965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.6460 -16.6987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9213 -15.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7783 -17.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0560 -15.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9189 -16.6946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7760 -18.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1876 -15.6907 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.0584 -14.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9142 -18.6952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.3224 -15.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1923 -13.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9118 -19.6959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3247 -14.1885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1946 -12.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7780 -20.1974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.0443 -20.1933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.3294 -12.1954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.3318 -11.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1993 -10.6972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.4656 -10.6931 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.2006 -14.6879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9876 -15.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1544 -14.3832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7424 -16.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6896 -15.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5502 -17.3066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4444 -16.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3051 -17.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2521 -17.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0070 -18.2974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.8951 -15.0570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3676 -13.4049 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.3214 -13.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0620 -13.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5344 -12.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4883 -11.8174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.7938 -11.4483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.0069 -10.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8489 -14.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0158 -13.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7566 -14.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9607 -10.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2662 -9.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4794 -8.8180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3124 -10.1008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.1738 -9.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1276 -8.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4332 -8.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 2 5 1 0 0 0 3 6 1 0 0 0 4 7 1 0 0 0 4 8 2 0 0 0 7 9 1 6 0 0 7 10 1 0 0 0 9 11 1 0 0 0 10 12 1 0 0 0 11 13 1 0 0 0 11 14 2 0 0 0 12 15 1 0 0 0 13 16 1 1 0 0 13 17 1 0 0 0 15 18 1 0 0 0 16 19 1 0 0 0 17 20 1 0 0 0 18 21 1 0 0 0 19 22 1 0 0 0 19 23 2 0 0 0 20 24 1 0 0 0 20 25 2 0 0 0 22 26 1 1 0 0 22 27 1 0 0 0 26 28 1 0 0 0 27 29 1 0 0 0 28 30 1 0 0 0 28 31 2 0 0 0 29 32 1 0 0 0 30 33 1 0 0 0 30 34 1 6 0 0 32 35 1 0 0 0 32 36 2 0 0 0 33 37 1 0 0 0 34 38 1 0 0 0 37 39 2 0 0 0 37 40 1 0 0 0 38 41 1 0 0 0 38 42 2 0 0 0 39 43 1 0 0 0 40 44 2 0 0 0 41 45 1 6 0 0 43 46 2 0 0 0 46 47 1 0 0 0 5 6 1 0 0 0 44 46 1 0 0 0 49 48 1 6 0 0 48 50 2 0 0 0 49 51 1 0 0 0 49 52 1 0 0 0 52 54 1 0 0 0 53 55 2 0 0 0 53 54 1 0 0 0 51 53 1 0 0 0 48 45 1 0 0 0 41 56 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 57 59 1 0 0 0 60 61 1 0 0 0 60 62 1 6 0 0 60 63 1 0 0 0 61 64 1 0 0 0 61 65 1 0 0 0 62 66 1 0 0 0 62 67 2 0 0 0 63 68 1 0 0 0 64 69 1 0 0 0 64 70 2 0 0 0 69 71 1 6 0 0 69 72 1 0 0 0 71 73 1 0 0 0 72 74 1 0 0 0 73 75 1 0 0 0 73 76 2 0 0 0 74 77 1 0 0 0 75 78 1 1 0 0 75 79 1 0 0 0 77 80 1 0 0 0 78 81 1 0 0 0 79 82 1 0 0 0 80 83 1 0 0 0 81 84 2 0 0 0 82 85 1 0 0 0 83 86 1 0 0 0 83 87 2 0 0 0 85 88 1 0 0 0 88 89 1 0 0 0 89 90 1 0 0 0 89 91 2 0 0 0 65 68 1 0 0 0 1 81 1 6 0 0 92 66 1 6 0 0 92 93 1 0 0 0 92 94 1 0 0 0 93 95 1 0 0 0 95 96 1 0 0 0 95 97 2 0 0 0 96 98 2 0 0 0 97 99 1 0 0 0 98100 1 0 0 0 99100 2 0 0 0 100101 1 0 0 0 94102 2 0 0 0 94103 1 0 0 0 104103 1 6 0 0 104105 1 0 0 0 104106 1 0 0 0 106107 2 0 0 0 106108 1 0 0 0 109108 1 6 0 0 105110 1 6 0 0 105111 1 0 0 0 111112 1 0 0 0 109113 1 0 0 0 109114 1 0 0 0 114115 2 0 0 0 114116 1 0 0 0 113117 1 0 0 0 117118 1 0 0 0 117119 1 0 0 0 M END > CHEBI:7542 > neurotensin > A 13 amino acid peptide hormone which is found in the central nervous system and the gastrointestinal tract. It behaves as a neurotransmitter in the brain, as a hormone in the gut, and also as a neuromodulator. It is implicated in the pathophysiology of several CNS disorders (including schizophrenia, Parkinson's disease, drug abuse, pain, cancer, inflammation, eating disorders and central control of blood pressure) due to its association with a wide variety of neurotransmitter systems such as dopaminergic, sertonergic, glutamatergic, GABAergic, and cholinergic systems. > 3 > Pyr-Leu-Tyr-Glu-Asn-Lys-Pro-Arg-Arg-Pro-Tyr-Ile-Leu; neurotensin-(1-13); neurotensin 1-13; neurotensin (1-13); neurotensin; L-pyroglutamyl-L-leucyl-L-tyrosyl-L-alpha-glutamyl-L-asparagyl-L-lysyl-L-prolyl-L-arginyl-L-arginyl-L-prolyl-L-tyrosyl-L-isoleucyl-L-leucine; L-Pyr-L-Leu-L-Tyr-L-Glu-L-Asn-L-Lys-L-Pro-L-Arg-L-Arg-L-Pro-L-Tyr-L-Ile-L-Leu; 5-oxo-L-prolyl-L-leucyl-L-tyrosyl-L-alpha-glutamyl-L-asparaginyl-L-lysyl-L-prolyl-L-arginyl-L-arginyl-L-prolyl-L-tyrosyl-L-isoleucyl-L-leucine > C78H121N21O20 > 1672.953 > 1671.90968 > 0 > [C@@H]1(N(C([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC2=CC=C(O)C=C2)NC([C@@H](NC([C@H]3NC(=O)CC3)=O)CC(C)C)=O)=O)CCC(O)=O)=O)CC(N)=O)=O)CCCCN)=O)CCC1)C(N[C@H](C(N[C@H](C(N4[C@H](C(N[C@@H](CC=5C=CC(=CC5)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)O)=O)CCC4)=O)CCCNC(N)=N)=O)CCCNC(N)=N)=O > InChI=1S/C78H121N21O20/c1-7-43(6)63(73(115)96-57(76(118)119)37-42(4)5)97-70(112)55(39-45-21-25-47(101)26-22-45)95-72(114)59-18-13-35-99(59)75(117)52(16-11-33-86-78(83)84)90-64(106)48(15-10-32-85-77(81)82)89-71(113)58-17-12-34-98(58)74(116)51(14-8-9-31-79)91-69(111)56(40-60(80)102)94-66(108)50(28-30-62(104)105)88-68(110)54(38-44-19-23-46(100)24-20-44)93-67(109)53(36-41(2)3)92-65(107)49-27-29-61(103)87-49/h19-26,41-43,48-59,63,100-101H,7-18,27-40,79H2,1-6H3,(H2,80,102)(H,87,103)(H,88,110)(H,89,113)(H,90,106)(H,91,111)(H,92,107)(H,93,109)(H,94,108)(H,95,114)(H,96,115)(H,97,112)(H,104,105)(H,118,119)(H4,81,82,85)(H4,83,84,86)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1 > PCJGZPGTCUMMOT-ISULXFBGSA-N > 58889-67-1 > 55508-42-4 > C01836 > Neurotensin > 17000667; 21124211; 21549161; 23526754; 25189338; 25215420; 26453765; 27173113; 28316623; 28341345; 28887225; 29333632; 29938867; 30279001; 31079844; 31204518; 32057800; 32151680; 32168264; 32275927 $$$$