CHEBI:160180 - Lys-Phe-Asn

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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 Lys-Phe-Asn
ChEBI ID CHEBI:160180
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H29N5O5
Net Charge 0
Average Mass 407.471
Monoisotopic Mass 407.21687
InChI InChI=1S/C19H29N5O5/c20-9-5-4-8-13(21)17(26)23-14(10-12-6-2-1-3-7-12)18(27)24-15(19(28)29)11-16(22)25/h1-3,6-7,13-15H,4-5,8-11,20-21H2,(H2,22,25)(H,23,26)(H,24,27)(H,28,29)/t13-,14-,15-/m0/s1
InChIKey ODTZHNZPINULEU-KKUMJFAQSA-N
SMILES O=C(N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(=O)N)C(O)=O)[C@@H](N)CCCCN
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 Lys-Phe-Asn (CHEBI:160180) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-4-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoic acid