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CHEBI:147393 - neurotensin (1-8) dizwitterion

ChEBI IDCHEBI:147393
ChEBI Nameneurotensin (1-8) dizwitterion
Stars
DefinitionA peptide zwitterion that is the dizwitterionic form of neurotensin (1-8) having both carboxy groups deprotonated and the side-chains of L-lysyl and L-arginine protonated. It is the major species at pH 7.3.
Last Modified17 April 2020
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC46H71N13O14
Net Charge0
Average Mass1030.151
Monoisotopic Mass1029.52434
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)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]
InChIInChI=1S/C46H71N13O14/c1-24(2)21-31(56-38(65)27-14-16-36(62)52-27)40(67)57-32(22-25-10-12-26(60)13-11-25)41(68)53-28(15-17-37(63)64)39(66)58-33(23-35(48)61)42(69)54-29(7-3-4-18-47)44(71)59-20-6-9-34(59)43(70)55-30(45(72)73)8-5-19-51-46(49)50/h10-13,24,27-34,60H,3-9,14-23,47H2,1-2H3,(H2,48,61)(H,52,62)(H,53,68)(H,54,69)(H,55,70)(H,56,65)(H,57,67)(H,58,66)(H,63,64)(H,72,73)(H4,49,50,51)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
InChIKeyZJPYPJIAUOEHJV-LGYYRGKSSA-N
ChEBI Ontology
Outgoing Relation(s)
neurotensin (1-8) dizwitterion (CHEBI:147393) is a peptide zwitterion (CHEBI:60466)
neurotensin (1-8) dizwitterion (CHEBI:147393) is tautomer of neurotensin (1-8) (CHEBI:149493)
Incoming Relation(s)
neurotensin (1-8) (CHEBI:149493) is tautomer of neurotensin (1-8) dizwitterion (CHEBI:147393)
IUPAC Name 
5-oxo-L-prolyl-L-leucyl-L-tyrosyl-5-oxidanidyl-5-oxidanylidene-L-norvalyl-L-asparaginyl-6-azaniumyl-L-norleucyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-1-carboxylatobutyl]-L-prolinamide
Synonyms  Source
Pyr-Leu-Tyr-Glu-Asn-Lys-Pro-Arg dizwitterionSUBMITTER
L-pyroglutamyl-L-leucyl-L-tyrosyl-L-α-glutamyl-L-asparagyl-L-lysyl-L-prolyl-L-arginine dizwitterionSUBMITTER
L-Pyr-L-Leu-L-Tyr-L-Glu-L-Asn-L-Lys-L-Pro-L-Arg dizwitterionChEBI
UniProt Name  Source
neurotensin-(1-8)UniProt
Citations