CHEBI:164451 - Trp-Arg-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 Trp-Arg-His
ChEBI ID CHEBI:164451
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H31N9O4
Net Charge 0
Average Mass 497.560
Monoisotopic Mass 497.24990
InChI InChI=1S/C23H31N9O4/c24-16(8-13-10-29-17-5-2-1-4-15(13)17)20(33)31-18(6-3-7-28-23(25)26)21(34)32-19(22(35)36)9-14-11-27-12-30-14/h1-2,4-5,10-12,16,18-19,29H,3,6-9,24H2,(H,27,30)(H,31,33)(H,32,34)(H,35,36)(H4,25,26,28)/t16-,18-,19-/m0/s1
InChIKey KZIQDVNORJKTMO-WDSOQIARSA-N
SMILES O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=2C=3C(NC2)=CC=CC3)CCCN=C(N)N
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Trp-Arg-His (CHEBI:164451) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid