CHEBI:161025 - Asp-Tyr-Val

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ChEBI Name Asp-Tyr-Val
ChEBI ID CHEBI:161025
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H25N3O7
Net Charge 0
Average Mass 395.412
Monoisotopic Mass 395.16925
InChI InChI=1S/C18H25N3O7/c1-9(2)15(18(27)28)21-17(26)13(7-10-3-5-11(22)6-4-10)20-16(25)12(19)8-14(23)24/h3-6,9,12-13,15,22H,7-8,19H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)(H,27,28)/t12-,13-,15-/m0/s1
InChIKey BYLPQJAWXJWUCJ-YDHLFZDLSA-N
SMILES O=C(N[C@@H](C(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)CC1=CC=C(O)C=C1
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 Asp-Tyr-Val (CHEBI:161025) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoic acid