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CHEBI:190705 - neurotensin(1-10)(1+)

ChEBI IDCHEBI:190705
ChEBI Nameneurotensin(1-10)(1+)
Stars
Last Modified7 April 2022
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC57H91N18O16
Net Charge+1
Average Mass1284.465
Monoisotopic Mass1283.68550
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)[O-]
InChIInChI=1S/C57H90N18O16/c1-30(2)27-38(71-47(82)34-18-20-44(78)66-34)49(84)72-39(28-31-14-16-32(76)17-15-31)50(85)67-35(19-21-45(79)80)48(83)73-40(29-43(59)77)51(86)70-36(9-3-4-22-58)53(88)74-25-7-12-41(74)52(87)68-33(10-5-23-64-56(60)61)46(81)69-37(11-6-24-65-57(62)63)54(89)75-26-8-13-42(75)55(90)91/h14-17,30,33-42,76H,3-13,18-29,58H2,1-2H3,(H2,59,77)(H,66,78)(H,67,85)(H,68,87)(H,69,81)(H,70,86)(H,71,82)(H,72,84)(H,73,83)(H,79,80)(H,90,91)(H4,60,61,64)(H4,62,63,65)/p+1/t33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
InChIKeyHRJVZMYUVJBTHQ-NUDUWCFGSA-O
ChEBI Ontology
Outgoing Relation(s)
neurotensin(1-10)(1+) (CHEBI:190705) is a peptide cation (CHEBI:60194)
Synonyms  Source
Pyr-Leu-Tyr-Glu-Asn-Lys-Pro-Arg-Arg-Pro(1+)SUBMITTER
L-pyroglutamyl-L-leucyl-L-tyrosyl-L-α-glutamyl-L-asparagyl-L-lysyl-L-prolyl-L-arginyl-L-arginyl-L-proline(1+)SUBMITTER
UniProt Name  Source
neurotensin(1-10)UniProt
Citations