CHEBI:149495 - neurotensin (1-12)

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ChEBI Name neurotensin (1-12) ChEBI ID CHEBI:149495 Definition A 12 amino acid peptide fragment of neurotensin. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C72H110N20O19 Net Charge 0 Average Mass 1559.793 Monoisotopic Mass 1558.82561 InChI InChI=1S/C72H110N20O19/c1-5-39(4)58(70(110)111)90-65(105)51(36-41-19-23-43(94)24-20-41)89-67(107)54-16-11-33-92(54)69(109)48(14-9-31-80-72(77)78)84-59(99)44(13-8-30-79-71(75)76)83-66(106)53-15-10-32-91(53)68(108)47(12-6-7-29-73)85-64(104)52(37-55(74)95)88-61(101)46(26-28-57(97)98)82-63(103)50(35-40-17-21-42(93)22-18-40)87-62(102)49(34-38(2)3)86-60(100)45-25-27-56(96)81-45/h17-24,38-39,44-54,58,93-94H,5-16,25-37,73H2,1-4H3,(H2,74,95)(H,81,96)(H,82,103)(H,83,106)(H,84,99)(H,85,104)(H,86,100)(H,87,102)(H,88,101)(H,89,107)(H,90,105)(H,97,98)(H,110,111)(H4,75,76,79)(H4,77,78,80)/t39-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,58-/m0/s1 InChIKey DJENXOAWLQVFNU-IWCUNIDFSA-N SMILES [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(O)=O)[C@H](CC)C)=O)CCC4)=O)CCCNC(N)=N)=O)CCCNC(N)=N)=O Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing neurotensin (1-12) (CHEBI:149495) has role human metabolite (CHEBI:77746) neurotensin (1-12) (CHEBI:149495) is a peptide (CHEBI:16670) neurotensin (1-12) (CHEBI:149495) is conjugate base of neurotensin (1-12)(1+) (CHEBI:147363) Incoming neurotensin (1-12)(1+) (CHEBI:147363) is conjugate acid of neurotensin (1-12) (CHEBI:149495) IUPAC Name 5-oxo-L-prolyl-L-leucyl-L-tyrosyl-L-α-glutamyl-L-asparaginyl-L-lysyl-L-prolyl-L-arginyl-L-arginyl-L-prolyl-L-tyrosyl-L-isoleucine Synonyms Sources 5-oxo-L-Pro-L-Leu-L-Tyr-L-Glu-L-Asn-L-Lys-L-Pro-L-Arg-L-Arg-L-Pro-L-Tyr-L-Ile ChEBI 5-oxo-L-Pro-L-Leu-L-Tyr-L-Glu-L-Asn-L-Lys-L-Pro-L-Arg-L-Arg-L-Pro-L-Tyr-L-Ile-OH ChEBI Glp-Leu-Tyr-Glu-Asn-Lys-Pro-Arg-Arg-Pro-Tyr-Ile-OH ChEBI <Glu-Leu-Tyr-Glu-Asn-Lys-Pro-Arg-Arg-Pro-Tyr-Ile-OH ChEBI L-Pyr-L-Leu-L-Tyr-L-Glu-L-Asn-L-Lys-L-Pro-L-Arg-L-Arg-L-Pro-L-Tyr-L-Ile ChEBI L-pyroglutamyl-L-leucyl-L-tyrosyl-L-α-glutamyl-L-asparagyl-L-lysyl-L-prolyl-L-arginyl-L-arginyl-L-prolyl-L-tyrosyl-L-isoleucine ChEBI neurotensin (1-12) ChEBI neurotensin 1-12 ChEBI neurotensin-(1-12) ChEBI Pyr-Leu-Tyr-Glu-Asn-Lys-Pro-Arg-Arg-Pro-Tyr-Ile ChEBI Citations Types Sources 1754070 PubMed citation Europe PMC 2826435 PubMed citation Europe PMC 3301344 PubMed citation Europe PMC 6346282 PubMed citation Europe PMC Last Modified 17 April 2020