CHEBI:166126 - Val-Asp-Phe

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-Asp-Phe
ChEBI ID CHEBI:166126
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H25N3O6
Net Charge 0
Average Mass 379.413
Monoisotopic Mass 379.17434
InChI InChI=1S/C18H25N3O6/c1-10(2)15(19)17(25)20-12(9-14(22)23)16(24)21-13(18(26)27)8-11-6-4-3-5-7-11/h3-7,10,12-13,15H,8-9,19H2,1-2H3,(H,20,25)(H,21,24)(H,22,23)(H,26,27)/t12-,13-,15-/m0/s1
InChIKey HHSILIQTHXABKM-YDHLFZDLSA-N
SMILES O=C(N[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O)CC(O)=O)[C@@H](N)C(C)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-Asp-Phe (CHEBI:166126) is a oligopeptide (CHEBI:25676)
IUPAC Name
(3S)-3-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobutanoic acid