CHEBI:158278 - Ile-Asp-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 Ile-Asp-Ser
ChEBI ID CHEBI:158278
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(14)12(21)15-7(4-9(18)19)11(20)16-8(5-17)13(22)23/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 DCQMJRSOGCYKTR-GHCJXIJMSA-N
SMILES O=C(N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(O)=O)[C@@H](N)[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 Ile-Asp-Ser (CHEBI:158278) is a oligopeptide (CHEBI:25676)
IUPAC Name
(3S)-3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-oxobutanoic acid
Manual Xref Database
9338488 ChemSpider
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