CHEBI:158758 - Ile-Ser-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-Ser-Ser
ChEBI ID CHEBI:158758
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H23N3O6
Net Charge 0
Average Mass 305.331
Monoisotopic Mass 305.15869
InChI InChI=1S/C12H23N3O6/c1-3-6(2)9(13)11(19)14-7(4-16)10(18)15-8(5-17)12(20)21/h6-9,16-17H,3-5,13H2,1-2H3,(H,14,19)(H,15,18)(H,20,21)/t6-,7-,8-,9-/m0/s1
InChIKey PXKACEXYLPBMAD-JBDRJPRFSA-N
SMILES O=C(N[C@H](C(=O)N[C@@H](CO)C(O)=O)CO)[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-Ser-Ser (CHEBI:158758) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid