Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR2143)
Drug Name
L-histidine
Synonyms
Anti-rheuma; H-His-OH; HISTIDINE, L-; Histidina [INN-Spanish]; Histidine (VAN); Histidine [USAN:INN]; Histidinum; Histidinum [INN-Latin]; Istidina; L-(-)-Histidine; L-Hisidine; L-Histidin; L-beta-(4-Imidazolyl)alanin; L-histidine; S-Histidine; glyoxaline-5-alanine; histidina; histidine; (2S)-2-amino-3-(1H-imidazol-4-yl)propanoic acid; (L)-Histidine; (S)-4-(2-Amino-2-carboxyethyl)imidazole; (S)-Histidine; (S)-alpha-amino-1H-imidazole-4-propanoic acid; 1H-Imidazole-4-alanine, (S)-; 4-(2-Amino-2-carboxyethyl)imidazole; 71-00-1
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 155.15 Topological Polar Surface Area 92
Heavy Atom Count 11 Rotatable Bond Count 3
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
6274
PubChem SID
3435 ; 587554 ; 609693 ; 824156 ; 3136567 ; 7847100 ; 8145060 ; 8153954 ; 10533543 ; 11108714 ; 11111281 ; 14716013 ; 15170951 ; 15321675 ; 15321676 ; 24877543 ; 24895605 ; 24895728 ; 24895816 ; 26702395 ; 26706813 ; 26706844 ; 26707943 ; 26713139 ; 29225269 ; 46392155 ; 46392410 ; 46507001 ; 47960030 ; 48416085 ; 49747685 ; 49856391 ; 50111080 ; 53787754 ; 56269952 ; 57323310 ; 57651378 ; 57654248 ; 75529724 ; 81044555 ; 81067341 ; 83549210 ; 85164887 ; 87235989 ; 87570592 ; 88835368 ; 90340851 ; 92297850 ; 99224367 ; 99452993
ChEBI ID
CHEBI:15971
CAS Number
71-00-1
TTD Drug ID
D0T6UL
Formula
C6H9N3O2
Canonical SMILES
C1=C(NC=N1)CC(C(=O)O)N
InChI
1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1
InChIKey
HNDVDQJCIGZPNO-YFKPBYRVSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Carnosine DM004966
439224
Unclear 1 [2]
Histamine DM004961
774
Unclear 1 [4] , [5] , [2]
Homocarnosine DM004965
10243361
Unclear 1 [2]
Imidazole pyruvate DM004964
794
Unclear 1 [2]
Urocanate DM004963
736715
Unclear 1 [2]
1-methylhistamine DM004962
3614
Unclear 2 [4] , [5] , [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005377 L-histidine Histamine Unclear hdcA [4], [5], [2]
MR005379 L-histidine Urocanate Unclear HAL [2]
MR005380 L-histidine Imidazole pyruvate Unclear AMT [2]
MR005381 L-histidine Homocarnosine Unclear Unclear [2]
MR005382 L-histidine Carnosine Unclear Unclear [2]
MR005378 Histamine 1-methylhistamine Unclear Unclear [4], [5], [2]
⏷ Show the Full List of 6 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Aminomethyltransferase (AMT) DMEN051 Homo sapiens
GCST_HUMAN
1.14.17.1
[2]
Histidase (HAL) DMEN254 Homo sapiens
HUTH_HUMAN
4.3.1.3
[2]
Histidine decarboxylase (hdcA) DME1153 Lactobacillus reuteri
A0A0K6GJ74_LACRE
4.1.1.22
[3]
References
1 Semi-mechanistic population pharmacokinetic modeling of L-histidine disposition and brain uptake in wildtype and Pht1 null mice. Pharm Res. 2018 Jan 5;35(1):19.
2 Histidine in Health and Disease: Metabolism, Physiological Importance, and Use as a Supplement
3 Histamine derived from probiotic Lactobacillus reuteri suppresses TNF via modulation of PKA and ERK signaling. PLoS One. 2012;7(2):e31951.
4 Biomarkers of PEGylated Liposomal Doxorubicin-Induced Hypersensitivity Reaction in Breast Cancer Patients Based on Metabolomics
5 Measurement and characterization of histamine and methylhistamine in human urine under histamine-rich and histamine-poor diets

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