CHEBI:160660 - Asp-Ile-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-Ile-Ser
ChEBI ID CHEBI:160660
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(12(21)15-8(5-17)13(22)23)16-11(20)7(14)4-9(18)19/h6-8,10,17H,3-5,14H2,1-2H3,(H,15,21)(H,16,20)(H,18,19)(H,22,23)/t6-,7-,8-,10-/m0/s1
InChIKey KLYPOCBLKMPBIQ-GHCJXIJMSA-N
SMILES O=C(N[C@@H](CO)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)[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-Ile-Ser (CHEBI:160660) is a peptide (CHEBI:16670)
IUPAC Name
(3S)-3-amino-4-[[(2S,3S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid