CHEBI:165112 - Tyr-Ile-Arg

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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 Tyr-Ile-Arg
ChEBI ID CHEBI:165112
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H34N6O5
Net Charge 0
Average Mass 450.540
Monoisotopic Mass 450.25907
InChI InChI=1S/C21H34N6O5/c1-3-12(2)17(19(30)26-16(20(31)32)5-4-10-25-21(23)24)27-18(29)15(22)11-13-6-8-14(28)9-7-13/h6-9,12,15-17,28H,3-5,10-11,22H2,1-2H3,(H,26,30)(H,27,29)(H,31,32)(H4,23,24,25)/t12-,15-,16-,17-/m0/s1
InChIKey PJWCWGXAVIVXQC-STECZYCISA-N
SMILES O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@H](CC)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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Tyr-Ile-Arg (CHEBI:165112) is a oligopeptide (CHEBI:25676)
IUPAC Name
(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Manual Xref Database
16575517 ChemSpider
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