Anserine

Details

• Internal ID: 3ab8723c-3b0f-439a-9da5-96f3a3f830b8
• Taxonomy: Organic acids and derivatives > Peptidomimetics > Hybrid peptides
• IUPAC Name: (2S)-2-(3-aminopropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid
• InChI: InChI=1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1
• InChI Key: MYYIAHXIVFADCU-QMMMGPOBSA-N
• Popularity: 2,026 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₆N₄O₃
• Molecular Weight: 240.26 g/mol
• Exact Mass: 240.12224039 g/mol
• Topological Polar Surface Area (TPSA): 110.00 Ų
• XlogP: -4.00

Synonyms

• ANSERINE
• 584-85-0
• beta-alanyl-3-methyl-L-histidine
• HDQ4N37UGV
• DTXSID30973950
• (2S)-2-(3-aminopropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid
• L-Histidine, N-beta-alanyl-3-methyl-
• CHEBI:18323
• (2S)-2-(3-aminopropanamido)-3-(1-methyl-1H-imidazol-5-yl)propanoic acid
• Balanine
• Beta Alanyl 3 Methylhistidine
• Beta-Alanyl-3-Methylhistidine
• RefChem:915936
• DTXCID201401390
• (2S)-2-(3-azaniumylpropanoylamino)-3-(3-methylimidazol-4-yl)propanoate
• (2S)-2-((3-Amino-1-Oxopropyl)Amino)-3-(3-Methyl-4-Imidazolyl)Propanoic Acid
• 209-545-0
• Ophidine
• MFCD11040910
• N-beta-Alanyl-3-methyl-L-histidine
• beta-Alanyl-N(pai)-methyl-L-histidine
• (2~{S})-2-(3-azanylpropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid
• (S)-2-(3-Aminopropanamido)-3-(1-methyl-1H-imidazol-5-yl)propanoic acid
• UNII-HDQ4N37UGV
• EINECS 209-545-0
• beta-Alanyl-N(pi)-methyl-L-histidine
• Anserine [WHO-DD]
• (2S)-2-[(3-ammoniopropanoyl)amino]-3-(1-methyl-1H-imidazol-5-yl)propanoate
• ANSERINE [MI]
• Na-(3-aminopropanoyl)-Np-methyl-L-histidine
• SCHEMBL34255
• H-beta-Ala-His(3-Me)-OH
• H-?-Ala-His(3-Me)-OH
• CHEMBL448301
• orb1306053
• orb3141439
• L-N-b-alanyl-3-methyl-Histidine
• N-b-alanyl-3-methyl-L-Histidine
• L-N-beta-alanyl-3-methyl-Histidine
• MSK001356
• s6141
• AKOS015896389
• EBC-616073
• FA34800
• AS-19301
• SY105498
• HY-113354
• CS-0062279
• NS00015140
• L-HISTIDINE, .BETA.-ALANYL-3-METHYL-
• C01262
• I11595
• L-HISTIDINE, N-.BETA.-ALANYL-3-METHYL-
• N(alpha)-(beta-alanyl)-N(pros)-methylhistidine
• Q415335
• HISTIDINE, N-.BETA.-ALANYL-3-METHYL-, L-
• (S)-2-(3-Aminopropanamido)-3-(1-methyl-1H-imidazol-5-yl)propanoicacid
• 8V3

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL4040	P28482	MAP kinase ERK2	97.90%	83.82%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.38%	96.09%
CHEMBL2581	P07339	Cathepsin D	96.89%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	94.01%	99.17%
CHEMBL221	P23219	Cyclooxygenase-1	93.00%	90.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.54%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.95%	95.56%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	87.69%	96.00%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	84.53%	92.29%
CHEMBL1795139	Q8IU80	Transmembrane protease serine 6	82.87%	98.33%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	82.85%	100.00%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	82.10%	95.17%
CHEMBL1255126	O15151	Protein Mdm4	81.76%	90.20%
CHEMBL3492	P49721	Proteasome Macropain subunit	80.77%	90.24%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	80.17%	90.71%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 112072
• LOTUS: LTS0062440
• wikiData: Q415335