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

General Information of Drug (ID: DR2449)
Drug Name
DB-053072
Synonyms
Methylglyoxylate; Pyruvate; Natriumpyruvat; Propanoic acid, 2-oxo-, ion(1-); Pyruvate ion; pyruvate; 10110-EP2277876A1; 10110-EP2292614A1; 10110-EP2295413A1; 10110-EP2295432A1; 10110-EP2295550A2; 10110-EP2298312A1; 10110-EP2308874A1; 10110-EP2311830A1; 10110-EP2316835A1; 2-Oxopropanoate; 2-oxidanylidenepropanoate; 2-oxo-Propanoic acid; 2-oxopropanoic acid, ion(1-); 2hzl; 57-60-3; BDBM50159792; CHEBI:15361; CHEMBL181886; CTK1H3219; DB-007695; DB-053072; DTXSID50205604; FT-0731491; HO43T60JMG; LCTONWCANYUPML-UHFFFAOYSA-M; UNII-HO43T60JMG
Indication Prostate cancer [ICD11: 2C82] Phase 1 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 87.05 Topological Polar Surface Area 57.2
Heavy Atom Count 6 Rotatable Bond Count 0
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
107735
ChEBI ID
CHEBI:15361
CAS Number
57-60-3
Formula
C3H3O3-
Canonical SMILES
CC(=O)C(=O)[O-]
InChI
1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1
InChIKey
LCTONWCANYUPML-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
Acetyl Coenzyme A DM003095
444493
Unclear 1 [7]
CO2 DM000908
280
Unclear 1 [7]
Formate DM003444
283
Unclear 1 [7]
Oxaloacetate DM003435
970
Unclear 1 [2]
Acetate DM003441
175
Unclear 2 [7]
Bicarbonate DM003443
769
Unclear 2 [7]
Citrate DM000329
31348
Unclear 2 [2]
Isocitrate DM003436
1198
Unclear 3 [2]
A-ketoglutarate DM003437
155886536
Unclear 4 [2]
Succinyl-coA DM003438
92133
Unclear 5 [2]
Succinate DM003439
160419
Unclear 6 [2]
L-Malate DM003440
222656
Unclear 7 [2]
Oxaloacetate DM003435
970
Unclear 8 [2]
⏷ Show the Full List of 13  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR003878 DB-053072 Oxaloacetate Unclear PC [2]
MR003886 DB-053072 Acetyl-coA Unclear PDHX [7]
MR003888 DB-053072 Carbon dioxide Unclear Unclear [7]
MR003890 DB-053072 Formate Unclear Unclear [7]
MR003887 Acetyl-coA Acetate Unclear Unclear [7]
MR003889 Carbon dioxide Bicarbonate Unclear Unclear [7]
MR003879 Oxaloacetate Citrate Unclear CS [2]
MR003880 Citrate Isocitrate Unclear Unclear [2]
MR003881 Isocitrate A-ketoglutarate Unclear IDH1 [2]
MR003882 A-ketoglutarate Succinyl-coA Unclear OGDH [2]
MR003883 Succinyl-coA Succinate Unclear Unclear [2]
MR003884 Succinate L-Malate Unclear Unclear [2]
MR003885 L-Malate Oxaloacetate Unclear MDH2 [2]
⏷ Show the Full List of 13 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Alpha-ketoglutarate dehydrogenase (OGDH) DMEN107 Homo sapiens
ODO1_HUMAN
1.2.4.2
[2]
Citrate synthase (CS) DMEN105 Homo sapiens
CISY_HUMAN
2.3.3.1
[2]
D-Lactate dehydrogenase (ldhA) DME1686 Fusobacterium nucleatum
Q8RG11_FUSNN
1.1.1.28
[3]
D-Lactate dehydrogenase (ldhA) DME1687 Lactobacillus delbrueckii
LDHD_LACDA
1.1.1.28
[4]
D-Lactate dehydrogenase (ldhA) DME1690 Escherichia coli
LDHD_ECOLI
1.1.1.28
[3]
D-Lactate dehydrogenase (ldhA) DME1693 Pseudomonas aeruginosa
A0A1C7BXR3_PSEAI
1.1.1.28
[3]
isocitrate dehydrogenase (IDH1) DMEN106 Homo sapiens
IDHC_HUMAN
1.1.1.42
[2]
L-Lactate dehydrogenase (ldh) DME1512 Lactobacillus casei
LDH_LACCA
1.1.1.27
[5]
L-Lactate dehydrogenase (ldh) DME1688 Lactobacillus delbrueckii
LDH_LACDB
1.1.1.27
[6]
Malate dehydrogenase (MDH2) DMEN108 Homo sapiens
MDHM_HUMAN
1.1.1.37
[2]
Pyruvate carboxylase (PC) DMEN104 Homo sapiens
PYC_HUMAN
6.4.1.1
[2]
Pyruvate dehydrogenase protein X component (PDHX) DMEN109 Homo sapiens
ODPX_HUMAN
Not Available [7]
Pyruvate oxidase (pyrO) DME1691 Lactobacillus casei
A0A0H0YI92_LACCA
1.2.3.3
[8]
Unclear metabolic mechanism (DME-unclear) DME1692 Streptococcus mutans Not Available Not Available [9]
⏷ Show the Full List of 14  DME(s)
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
L-Lactate dehydrogenase (ldh) DME1512 Km = 1000 microM
LDH_LACCA
[5]
References
1 ClinicalTrials.gov (NCT02526368) A Pilot Study of (MR) Imaging With Pyruvate (13C) to Detect High Grade Prostate Cancer
2 Metabolic analysis of 13C-labeled pyruvate for noninvasive assessment of mitochondrial function
3 Diverse allosteric and catalytic functions of tetrameric d-lactate dehydrogenases from three Gram-negative bacteria. AMB Express. 2014 Oct 28;4:76.
4 Cloning of D-lactate dehydrogenase genes of Lactobacillus delbrueckii subsp. bulgaricus and their roles in D-lactic acid production. 3 Biotech. 2017 Jul;7(3):194.
5 Purification, properties and immunological relationship of L (+)-lactate dehydrogenase from Lactobacillus casei. Eur J Biochem. 1976 Aug 16;67(2):543-55.
6 Positive selection on D-lactate dehydrogenases of Lactobacillus delbrueckii subspecies bulgaricus. IET Syst Biol. 2015 Aug;9(4):172-9.
7 Detection of Bacteria-Specific Metabolism Using Hyperpolarized [2-(13)C]Pyruvate
8 Metabolic gene-targeted monitoring of non-starter lactic acid bacteria during cheese ripening. Int J Food Microbiol. 2017 Sep 18;257:276-284.
9 A highly arginolytic Streptococcus species that potently antagonizes Streptococcus mutans. Appl Environ Microbiol. 2016 Jan 29;82(7):2187-201.

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