CHEBI:160781 - Met-His-His

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Met-His-His
ChEBI ID CHEBI:160781
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H25N7O4S
Net Charge 0
Average Mass 423.490
Monoisotopic Mass 423.16887
InChI InChI=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
InChIKey RXWPLVRJQNWXRQ-IHRRRGAJSA-N
SMILES S(CC[C@H](N)C(=O)N[C@@H](CC=1NC=NC1)C(=O)N[C@@H](CC=2NC=NC2)C(O)=O)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing Met-His-His (CHEBI:160781) is a oligopeptide (CHEBI:25676)
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
Manual Xref Database
8288587 ChemSpider
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