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CHEBI:147362 - neurotensin(1+)

ChEBI IDCHEBI:147362
ChEBI Nameneurotensin(1+)
Stars
DefinitionA peptide cation obtained from the deprotonation of the carboxy groups of L-α-glutamyl and L-leucine residues, and protonation of the side chains of L-lysyl and L-arginyl residues of neurotensin. It is the major species at pH 7.3.
Last Modified17 April 2020
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC78H122N21O20
Net Charge+1
Average Mass1673.961
Monoisotopic Mass1672.91695
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)[O-]
InChIInChI=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)/p+1/t43-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1
InChIKeyPCJGZPGTCUMMOT-ISULXFBGSA-O
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
neurotensin(1+) (CHEBI:147362) has role human metabolite (CHEBI:77746)
neurotensin(1+) (CHEBI:147362) is a peptide cation (CHEBI:60194)
neurotensin(1+) (CHEBI:147362) is conjugate acid of neurotensin (CHEBI:7542)
Incoming Relation(s)
neurotensin (CHEBI:7542) is conjugate base of neurotensin(1+) (CHEBI:147362)
IUPAC Name 
5-oxo-L-prolyl-L-leucyl-L-tyrosyl-5-oxidanidyl-5-oxidanylidene-L-norvalyl-L-asparaginyl-6-azaniumyl-L-norleucyl-L-prolyl-N5-[amino(iminio)methyl]-L-ornithyl-N5-[amino(iminio)methyl]-L-ornithyl-L-prolyl-L-tyrosyl-N-[(1S)-1-carboxylato-3-methylbutyl]-L-isoleucinamide
Synonyms  Source
Pyr-Leu-Tyr-Glu-Asn-Lys-Pro-Arg-Arg-Pro-Tyr-Ile-Leu(1+)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-isoleucyl-L-leucine(1+)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-L-Leu(1+)ChEBI
UniProt Name  Source
neurotensinUniProt
Citations