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CHEBI:147394 - neurotensin (1-7)(1−)

ChEBI IDCHEBI:147394
ChEBI Nameneurotensin (1-7)(1−)
Stars
ASCII Nameneurotensin (1-7)(1-)
DefinitionA peptide anion of neurotensin (1-7) resulting from the deprotonation of the carboxy groups of L-α-glutamyl and L-proline residues, and protonation of the side chain of L-lysyl group. It is the major species at pH 7.3.
Last Modified17 April 2020
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC40H58N9O13
Net Charge-1
Average Mass872.954
Monoisotopic Mass872.41596
SMILESCC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)[O-]
InChIInChI=1S/C40H59N9O13/c1-21(2)18-27(46-34(55)24-12-14-32(52)43-24)36(57)47-28(19-22-8-10-23(50)11-9-22)37(58)44-25(13-15-33(53)54)35(56)48-29(20-31(42)51)38(59)45-26(6-3-4-16-41)39(60)49-17-5-7-30(49)40(61)62/h8-11,21,24-30,50H,3-7,12-20,41H2,1-2H3,(H2,42,51)(H,43,52)(H,44,58)(H,45,59)(H,46,55)(H,47,57)(H,48,56)(H,53,54)(H,61,62)/p-1/t24-,25-,26-,27-,28-,29-,30-/m0/s1
InChIKeyBFBHOALZWJNUPJ-FLMSMKGQSA-M
ChEBI Ontology
Outgoing Relation(s)
neurotensin (1-7)(1−) (CHEBI:147394) is a peptide anion (CHEBI:60334)
neurotensin (1-7)(1−) (CHEBI:147394) is conjugate base of neurotensin (1-7) (CHEBI:149488)
Incoming Relation(s)
neurotensin (1-7) (CHEBI:149488) is conjugate acid of neurotensin (1-7)(1−) (CHEBI:147394)
IUPAC Name 
5-oxo-L-prolyl-L-leucyl-L-tyrosyl-5-oxidanidyl-5-oxidanylidene-L-norvalyl-N1-{(2S)-6-azaniumyl-1-[(2S)-2-carboxylatopyrrolidin-1-yl]-1-oxohexan-2-yl}-L-aspartamide
Synonyms  Source
L-pyroglutamyl-L-leucyl-L-tyrosyl-L-α-glutamyl-L-asparagyl-L-lysyl-L-proline(1−)ChEBI
Pyr-Leu-Tyr-Glu-Asn-Lys-Pro(1−)ChEBI
neurotensin-(1-7)(1−)ChEBI
L-Pyr-L-Leu-L-Tyr-L-Glu-L-Asn-L-Lys-L-Pro(1−)ChEBI
UniProt Name  Source
neurotensin-(1-7)UniProt
Citations