AYA

N-ACETYLALANINE

Created:	1999-07-08
Last modified:	2024-09-27

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5 entries where AYA is found as a standalone ligand160 entries where AYA is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	1
Bond Count	17
Aromatic Bond Count	0

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Chemical Component Summary
Name	N-ACETYLALANINE
Systematic Name (OpenEye OEToolkits)	(2S)-2-acetamidopropanoic acid
Formula	C₅ H₉ N O₃
Molecular Weight	131.13
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(NC(C(=O)O)C)C
SMILES	CACTVS	3.341	C[CH](NC(C)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(C(=O)O)NC(=O)C
Canonical SMILES	CACTVS	3.341	C[C@H](NC(C)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@@H](C(=O)O)NC(=O)C
InChI	InChI	1.03	InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1
InChIKey	InChI	1.03	KTHDTJVBEPMMGL-VKHMYHEASA-N

Drug Info: DrugBank

DrugBank ID	DB02518
Name	N-Acetylalanine
Groups	experimental
Synonyms	L-N-Acetylalanine Acetylalanine 2-acetamidopropionic acid N-acetyl-L-α-alanine (S)-2-(acetylamino)propanoic acid s-(-)-n-acetylalanine Ac-Ala-OH N-Acetylalanine N-acetyl-L-alanine N-Acetyl-S-alanine
Categories	Amino Acids Amino Acids, Peptides, and Proteins
CAS number	97-69-8

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Aldose reductase	MASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQ...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682