CHEBI:7161 - N-Acetyl-ala-ala-ala-methylester

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ChEBI Name N-Acetyl-ala-ala-ala-methylester
ChEBI ID CHEBI:7161
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C12H21N3O5
Net Charge 0
Average Mass 287.313
Monoisotopic Mass 287.14812
InChI InChI=1S/C12H21N3O5/c1-6(13-9(4)16)10(17)14-7(2)11(18)15-8(3)12(19)20-5/h6-8H,1-5H3,(H,13,16)(H,14,17)(H,15,18)/t6-,7-,8-/m0/s1
InChIKey FKSWBCPVKXRWMC-FXQIFTODSA-N
SMILES COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O
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 N-Acetyl-ala-ala-ala-methylester (CHEBI:7161) is a peptide (CHEBI:16670)
Synonyms Sources
N-Acetyl-ala-ala-ala-methylester KEGG COMPOUND
NAc-AAA-ME KEGG COMPOUND
Manual Xref Database
C11329 KEGG COMPOUND
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Registry Number Type Source
26910-17-8 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014