CHEBI:166251 - Val-Ile-Tyr

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Val-Ile-Tyr
ChEBI ID CHEBI:166251
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H31N3O5
Net Charge 0
Average Mass 393.484
Monoisotopic Mass 393.22637
InChI InChI=1S/C20H31N3O5/c1-5-12(4)17(23-18(25)16(21)11(2)3)19(26)22-15(20(27)28)10-13-6-8-14(24)9-7-13/h6-9,11-12,15-17,24H,5,10,21H2,1-4H3,(H,22,26)(H,23,25)(H,27,28)/t12-,15-,16-,17-/m0/s1
InChIKey BZWUSZGQOILYEU-STECZYCISA-N
SMILES O=C(N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[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 Val-Ile-Tyr (CHEBI:166251) is a oligopeptide (CHEBI:25676)
IUPAC Name
(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Manual Xref Database
8153482 ChemSpider
View more database links