CHEBI:160738 - Asp-Lys-Ser

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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-Lys-Ser
ChEBI ID CHEBI:160738
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H24N4O7
Net Charge 0
Average Mass 348.356
Monoisotopic Mass 348.16450
InChI InChI=1S/C13H24N4O7/c14-4-2-1-3-8(12(22)17-9(6-18)13(23)24)16-11(21)7(15)5-10(19)20/h7-9,18H,1-6,14-15H2,(H,16,21)(H,17,22)(H,19,20)(H,23,24)/t7-,8-,9-/m0/s1
InChIKey DPNWSMBUYCLEDG-CIUDSAMLSA-N
SMILES O=C(N[C@@H](CO)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)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 Asp-Lys-Ser (CHEBI:160738) is a peptide (CHEBI:16670)
IUPAC Name
(3S)-3-amino-4-[[(2S)-6-amino-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid