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CHEBI:160781 - Met-His-His

ChEBI IDCHEBI:160781
ChEBI NameMet-His-His
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H25N7O4S
Net Charge0
Average Mass423.499
Monoisotopic Mass423.16887
SMILESCSCC[C@H](N)C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C17H25N7O4S/c1-29-3-2-12(18)15(25)23-13(4-10-6-19-8-21-10)16(26)24-14(17(27)28)5-11-7-20-9-22-11/h6-9,12-14H,2-5,18H2,1H3,(H,19,21)(H,20,22)(H,23,25)(H,24,26)(H,27,28)/t12-,13-,14-/m0/s1
InChIKeyRXWPLVRJQNWXRQ-IHRRRGAJSA-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-His-His (CHEBI:160781) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
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