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CHEBI:235418 - Met-Arg-(3-NO2)-Tyr-Leu-His zwitterion

ChEBI IDCHEBI:235418
ChEBI NameMet-Arg-(3-NO2)-Tyr-Leu-His zwitterion
Stars
ASCII NameMet-Arg-(3-NO2)-Tyr-Leu-His zwitterion
DefinitionThe compound has been published in DOI:10.1016/j.chempr.2025.102438
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC32H49N11O9S
Net Charge0
Average Mass763.879
Monoisotopic Mass763.34354
SMILESCSCC[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc([O-])c([N+](=O)[O-])c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cncn1)C(=O)[O-]
InChIInChI=1S/C32H49N11O9S/c1-17(2)11-22(29(47)42-24(31(49)50)14-19-15-36-16-38-19)40-30(48)23(12-18-6-7-26(44)25(13-18)43(51)52)41-28(46)21(5-4-9-37-32(34)35)39-27(45)20(33)8-10-53-3/h6-7,13,15-17,20-24,44H,4-5,8-12,14,33H2,1-3H3,(H,36,38)(H,39,45)(H,40,48)(H,41,46)(H,42,47)(H,49,50)(H4,34,35,37)/t20-,21-,22-,23-,24-/m0/s1
InChIKeyHBXQBJFXGSOZSV-LSBAASHUSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Met-Arg-(3-NO2)-Tyr-Leu-His zwitterion (CHEBI:235418) has functional parent Met-Arg-Tyr-Leu-His(1+) (CHEBI:235405)
Met-Arg-(3-NO2)-Tyr-Leu-His zwitterion (CHEBI:235418) is a pentapeptide (CHEBI:48545)
Synonyms  Source
L-Met-L-Arg-(3-NO2)-L-Tyr-L-Leu-L-HisSUBMITTER
L-methionyl-L-arginyl-3-nitro-L-tyrosyl-L-leucyl-L-histidineSUBMITTER
M-R-(3-NO2)-Y-L-HSUBMITTER
UniProt Name  Source
L-Met-L-Arg-(3-NO2)-L-Tyr-L-Leu-L-HisUniProt
Citations