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

General Information of Drug (ID: DR2117)
Drug Name
Nitrite
Synonyms
LS-193697; NO2(-); Nitrit; Nitrite (8CI,9CI); Nitrite Ion; Nitrite anion; Nitrite ion (NO2-); Nitrite(1-); Nitrites; Nitrogen Oxide Anion; Nitrogen dioxide ion(1-); Nitrogen peroxide ion(1-); Nitrous acid, ion(1-); dioxidonitrate(1-); dioxonitrate(1-); dioxonitrate(III); nitrite; 14797-65-0; 1937AH; AB01566909_01; AC1L1ADT; BDBM26989; CHEBI:16301; CHEMBL1361; CTK0H5378; DB12529; DTXSID5024219; MFCD00144923; NCGC00090737-03; NCGC00090737-04; NO2; NO2-; ONO-; UNII-J39976L608; IOVCWXUNBOPUCH-UHFFFAOYSA-M; J39976L608; [NO2](-)
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 46.006 Topological Polar Surface Area 52.5
Heavy Atom Count 3 Rotatable Bond Count 0
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
946
ChEBI ID
CHEBI:16301
CAS Number
14797-65-0
Formula
NO2-
Canonical SMILES
N(=O)[O-]
InChI
1S/HNO2/c2-1-3/h(H,2,3)/p-1
InChIKey
IOVCWXUNBOPUCH-UHFFFAOYSA-M
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
Nitrate DM003982
943
Oxidation - Oxidationn 1 [5]
NO DM000320
145068
Unclear 1 [3] , [4]
N2 DM003979
947
Unclear 2 [3]
Oxygen DM004776
977
Unclear 2 [3]
NH4+ DM003891
223
Unclear 3 [5]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004353 Nitrite NO Unclear nirS [3], [4]
MR004357 Nitrite Nitrate Oxidation - Oxidationn Unclear [5]
MR004354 NO N2 Unclear NOD [3]
MR004356 NO Oxygen Unclear Unclear [3]
MR004355 N2 NH4+ Unclear Unclear [5]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
MOSC domain-containing protein 1 (MARC1) DME0540 Homo sapiens
MARC1_HUMAN
1.7.2.1
[2]
MOSC domain-containing protein 2 (MARC2) DME0541 Homo sapiens
MARC2_HUMAN
1.7.2.1
[2]
Nitrite reductase (nirS) DMEN188 . Not Available Not Available [3] , [4]
NO dismutase (NOD) DMEN189 . Not Available Not Available [3]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
MOSC domain-containing protein 1 (MARC1) DME0540 Km = 9.5 microM
MARC1_HUMAN
[2]
MOSC domain-containing protein 2 (MARC2) DME0541 Km = 9.5 microM
MARC2_HUMAN
[2]
References
1 DrugBank 5.0: a major update to the DrugBank database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D1074-D1082. (id: DB12529)
2 Nitrite reductase and nitric-oxide synthase activity of the mitochondrial molybdopterin enzymes mARC1 and mARC2. J Biol Chem. 2014 Apr 11;289(15):10345-58.
3 A new intra-aerobic metabolism in the nitrite-dependent anaerobic methane-oxidizing bacterium Candidatus 'Methylomirabilis oxyfera'
4 Nitrite and nitrate: cardiovascular risk-benefit and metabolic effect
5 High nitrite-nitrogen stress intensity drives nitrite anaerobic oxidation to nitrate and inhibits methanogenesis

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