CHEBI:159033 - Arg-His-Thr

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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 Arg-His-Thr
ChEBI ID CHEBI:159033
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H28N8O5
Net Charge 0
Average Mass 412.451
Monoisotopic Mass 412.21827
InChI InChI=1S/C16H28N8O5/c1-8(25)12(15(28)29)24-14(27)11(5-9-6-20-7-22-9)23-13(26)10(17)3-2-4-21-16(18)19/h6-8,10-12,25H,2-5,17H2,1H3,(H,20,22)(H,23,26)(H,24,27)(H,28,29)(H4,18,19,21)/t8-,10+,11+,12+/m1/s1
InChIKey CVKOQHYVDVYJSI-QTKMDUPCSA-N
SMILES O=C(N[C@@H]([C@H](O)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)CC=1NC=NC1
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 Arg-His-Thr (CHEBI:159033) is a peptide (CHEBI:16670)
IUPAC Name
(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoic acid