CHEBI:160886 - Asp-Ser-Ile

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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-Ser-Ile
ChEBI ID CHEBI:160886
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H23N3O7
Net Charge 0
Average Mass 333.341
Monoisotopic Mass 333.15360
InChI InChI=1S/C13H23N3O7/c1-3-6(2)10(13(22)23)16-12(21)8(5-17)15-11(20)7(14)4-9(18)19/h6-8,10,17H,3-5,14H2,1-2H3,(H,15,20)(H,16,21)(H,18,19)(H,22,23)/t6-,7-,8-,10-/m0/s1
InChIKey DRCOAZZDQRCGGP-GHCJXIJMSA-N
SMILES OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)CO)[C@H](CC)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 )
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ChEBI Ontology
Outgoing Asp-Ser-Ile (CHEBI:160886) is a peptide (CHEBI:16670)
IUPAC Name
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoic acid