CHEBI:160970 - Asp-Trp-Lys

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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 Asp-Trp-Lys
ChEBI ID CHEBI:160970
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H29N5O6
Net Charge 0
Average Mass 447.492
Monoisotopic Mass 447.21178
InChI InChI=1S/C21H29N5O6/c22-8-4-3-7-16(21(31)32)25-20(30)17(26-19(29)14(23)10-18(27)28)9-12-11-24-15-6-2-1-5-13(12)15/h1-2,5-6,11,14,16-17,24H,3-4,7-10,22-23H2,(H,25,30)(H,26,29)(H,27,28)(H,31,32)/t14-,16-,17-/m0/s1
InChIKey FIRWLDUOFOULCA-XIRDDKMYSA-N
SMILES O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)CC=1C=2C(NC1)=CC=CC2
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-Trp-Lys (CHEBI:160970) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid
Manual Xref Database
16569910 ChemSpider
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