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CHEBI:149488 - neurotensin (1-7)

ChEBI IDCHEBI:149488
ChEBI Nameneurotensin (1-7)
Stars
DefinitionA 7 amino acid peptide fragment of neurotensin.
Last Modified17 April 2020
SubmitterAdnan
DownloadsMolfile
FormulaC40H59N9O13
Net Charge0
Average Mass873.962
Monoisotopic Mass873.42323
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](CCCCN)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)/t24-,25-,26-,27-,28-,29-,30-/m0/s1
InChIKeyBFBHOALZWJNUPJ-FLMSMKGQSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
neurotensin (1-7) (CHEBI:149488) has role human metabolite (CHEBI:77746)
neurotensin (1-7) (CHEBI:149488) is a peptide (CHEBI:16670)
neurotensin (1-7) (CHEBI:149488) is conjugate acid of neurotensin (1-7)(1−) (CHEBI:147394)
Incoming Relation(s)
neurotensin (1-7)(1−) (CHEBI:147394) is conjugate base of neurotensin (1-7) (CHEBI:149488)
IUPAC Name 
5-oxo-L-prolyl-L-leucyl-L-tyrosyl-L-α-glutamyl-L-asparaginyl-L-lysyl-L-proline
Synonyms  Source
neurotensin (1-7)ChEBI
L-Pyr-L-Leu-L-Tyr-L-Glu-L-Asn-L-Lys-L-ProChEBI
Pyr-Leu-Tyr-Glu-Asn-Lys-ProChEBI
ChEBI
neurotensin 1-7ChEBI
neurotensin-(1-7)ChEBI
Citations