Histidinol

AlkaPlorer ID: AK008597

Synonym: None

IUPAC Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propan-1-ol

Structure

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

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InChI: InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1

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InChIKey: ZQISRDCJNBUVMM-YFKPBYRVSA-N

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Properties Information

Molecule Weight: 141.174

TPSA: 74.93

MolLogP: -0.7282000000000004

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Brucella suis biovar 1 (strain 1330) Histidinol dehydrogenase Km 12000.0 nM 10.1016/j.bmc.2007.04.027
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 44668.4 nM None
Homo sapiens Olfactory receptor 51E2 EC50 0.035 nM None
Homo sapiens Olfactory receptor 51E2 Ratio 0.578 None None
Mus musculus Nuclear receptor ROR-gamma Potency 35481.3 nM None
Rattus norvegicus Histamine H3 receptor Ki 3981071705534969.5 nM 10.1021/jm980408v

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT020297 N[C@H](CO)Cc1c[nH]cn1>>N[C@@H](Cc1c[nH]cn1)C(=O)O RXN-8001
AKRT020298 N[C@H](CO)Cc1c[nH]cn1>>N[C@H](C=O)Cc1c[nH]cn1 HISTOLDEHYD-RXN
AKRT020299 N[C@H](CO)Cc1cnc[nH]1>>N[C@@H](Cc1cnc[nH]1)C(=O)O enzymemap_3167
AKRT020300 N[C@H](CO)Cc1cnc[nH]1>>N[C@H](C=O)Cc1cnc[nH]1 enzymemap_3169
AKRT020308 N[C@H](COP(=O)(O)O)Cc1c[nH]cn1>>N[C@H](CO)Cc1c[nH]cn1 HISTIDPHOS-RXN
AKRT020311 N[C@H](COP(=O)(O)O)Cc1cnc[nH]1>>N[C@H](CO)Cc1cnc[nH]1 enzymemap_55212