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N-Acetyl-histidine

AlkaPlorer ID: AK029662

Synonym: 'SMR000102439', 'MLS000105558', 'MLSMR', '2497-02-1'

IUPAC Name: (2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoic acid

Structure

SMILES: CC(O)=N[C@@H](CC1=CN=CN1)C(=O)O

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InChI: InChI=1S/C8H11N3O3/c1-5(12)11-7(8(13)14)2-6-3-9-4-10-6/h3-4,7H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t7-/m0/s1

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InChIKey: KBOJOGQFRVVWBH-ZETCQYMHSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Trypanosoma brucei Trypanosoma Trypanosomatidae Trypanosomatida Kinetoplastea Euglenozoa None Eukaryota

Properties Information

Molecule Weight: 197.194

TPSA？: 98.57

MolLogP？: 0.3818000000000001

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Rattus norvegicus Histidine decarboxylase Inhibition 0.0 % 10.1021/jm00214a009

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT002767 CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O>>N[C@@H](Cc1c[nH]cn1)C(=O)O HISTIDINE-N-ACETYLTRANSFERASE-RXN
AKRT002793 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O>>CC(=O)O enzymemap_66527
AKRT002794 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O>>CC(=O)O.N[C@@H](Cc1cnc[nH]1)C(=O)O None
AKRT002795 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O>>N[C@@H](Cc1cnc[nH]1)C(=O)O enzymemap_66527
AKRT004437 CC(=O)[32S].N[C@@H](Cc1cnc[nH]1)C(=O)O>>CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O None
AKRT004703 CC(=O)[CoA].N[C@@H](Cc1c[nH]cn1)C(=O)O>>CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O HISTIDINE-N-ACETYLTRANSFERASE-RXN
AKRT004706 CC(=O)[CoA].N[C@@H](Cc1cnc[nH]1)C(=O)O>>CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O enzymemap_30737