Details of the Drug

General Information of Drug (ID: DM1K248)

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
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 87.05
Logarithm of the Partition Coefficient (xlogp) -0.6
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C3H3O3-
IUPAC Name
2-oxopropanoate
Canonical SMILES
CC(=O)C(=O)[O-]
InChI
LCTONWCANYUPML-UHFFFAOYSA-M
InChIKey
1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1
Cross-matching ID
PubChem CID
107735
ChEBI ID
CHEBI:15361
CAS Number
57-60-3
INTEDE ID
DR2449

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
D-Lactate dehydrogenase (ldhA) DEJEWXB A0A1C7BXR3_PSEAI Substrate [1]
D-Lactate dehydrogenase (ldhA) DECY6JG LDHD_ECOLI Substrate [1]
Pyruvate oxidase (pyrO) DE6QXYP A0A0H0YI92_LACCA Substrate [2]
L-Lactate dehydrogenase (ldh) DESR17C LDH_LACCA Substrate [3]
L-Lactate dehydrogenase (ldh) DE5DTYB LDH_LACDB Substrate [4]
D-Lactate dehydrogenase (ldhA) DEHUP0C LDHD_LACDA Substrate [5]
D-Lactate dehydrogenase (ldhA) DEBTUZ3 Q8RG11_FUSNN Substrate [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Diverse allosteric and catalytic functions of tetrameric d-lactate dehydrogenases from three Gram-negative bacteria. AMB Express. 2014 Oct 28;4:76.
2 Metabolic gene-targeted monitoring of non-starter lactic acid bacteria during cheese ripening. Int J Food Microbiol. 2017 Sep 18;257:276-284.
3 Purification, properties and immunological relationship of L (+)-lactate dehydrogenase from Lactobacillus casei. Eur J Biochem. 1976 Aug 16;67(2):543-55.
4 Positive selection on D-lactate dehydrogenases of Lactobacillus delbrueckii subspecies bulgaricus. IET Syst Biol. 2015 Aug;9(4):172-9.
5 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.