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CHEBI:190704 - neurotensin(1-11)(1+)

ChEBI IDCHEBI:190704
ChEBI Nameneurotensin(1-11)(1+)
Stars
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC66H100N19O18
Net Charge+1
Average Mass1447.641
Monoisotopic Mass1446.74882
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)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]
InChIInChI=1S/C66H99N19O18/c1-35(2)31-45(80-55(93)41-22-24-52(89)75-41)57(95)81-46(32-36-14-18-38(86)19-15-36)58(96)76-42(23-25-53(90)91)56(94)82-47(34-51(68)88)59(97)79-43(9-3-4-26-67)62(100)84-29-7-12-49(84)60(98)77-40(10-5-27-73-65(69)70)54(92)78-44(11-6-28-74-66(71)72)63(101)85-30-8-13-50(85)61(99)83-48(64(102)103)33-37-16-20-39(87)21-17-37/h14-21,35,40-50,86-87H,3-13,22-34,67H2,1-2H3,(H2,68,88)(H,75,89)(H,76,96)(H,77,98)(H,78,92)(H,79,97)(H,80,93)(H,81,95)(H,82,94)(H,83,99)(H,90,91)(H,102,103)(H4,69,70,73)(H4,71,72,74)/p+1/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
InChIKeyCUQGKXAMPVUPEU-TZIGXLGFSA-O
ChEBI Ontology
Outgoing Relation(s)
neurotensin(1-11)(1+) (CHEBI:190704) is a peptide cation (CHEBI:60194)
Synonyms  Source
L-pyroglutamyl-L-leucyl-L-tyrosyl-L-α-glutamyl-L-asparagyl-L-lysyl-L-prolyl-L-arginyl-L-arginyl-L-prolyl-L-tyrosine(1+)SUBMITTER
Pyr-Leu-Tyr-Glu-Asn-Lys-Pro-Arg-Arg-Pro-Tyr(1+)SUBMITTER
UniProt Name  Source
neurotensin(1-11)UniProt
Citations