CHEBI:158357 - Ala-Lys-Trp

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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 Ala-Lys-Trp
ChEBI ID CHEBI:158357
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H29N5O4
Net Charge 0
Average Mass 403.483
Monoisotopic Mass 403.22195
InChI InChI=1S/C20H29N5O4/c1-12(22)18(26)24-16(8-4-5-9-21)19(27)25-17(20(28)29)10-13-11-23-15-7-3-2-6-14(13)15/h2-3,6-7,11-12,16-17,23H,4-5,8-10,21-22H2,1H3,(H,24,26)(H,25,27)(H,28,29)/t12-,16-,17-/m0/s1
InChIKey JWUZOJXDJDEQEM-ZLIFDBKOSA-N
SMILES O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)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 Ala-Lys-Trp (CHEBI:158357) is a oligopeptide (CHEBI:25676)
IUPAC Name
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
Manual Xref Database
57554726 ChemSpider
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