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Showing NP-Card for Sodium lactate (NP0338412)

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Record Information
Version2.0
Created at2024-09-11 15:19:56 UTC
Updated at2024-09-11 15:19:57 UTC
NP-MRD IDNP0338412
Secondary Accession NumbersNone
Natural Product Identification
Common NameSodium lactate
Description Sodium lactate was first documented in 2024 (PMID: 39262340). Based on a literature review a significant number of articles have been published on Sodium lactate (PMID: 39238283) (PMID: 39193894) (PMID: 39134085) (PMID: 39067126) (PMID: 38992327) (PMID: 38988057).
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0338412 (Sodium lactate)


  Mrv2104 05262317522D          

  7  5  0  0  0  0            999 V2000
   -0.0405    0.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6740    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6740   -0.6740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3885    0.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1030    0.1510    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3885    1.3885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8286    0.1179    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
M  CHG  2   5  -1   7   1
M  END
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3D MOL for NP0338412 (Sodium lactate)

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3D SDF for NP0338412 (Sodium lactate)

  Mrv2104 05262317522D          

  7  5  0  0  0  0            999 V2000
   -0.0405    0.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6740    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6740   -0.6740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3885    0.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1030    0.1510    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3885    1.3885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8286    0.1179    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
M  CHG  2   5  -1   7   1
M  END
> <DATABASE_ID>
NP0338412

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[Na+].CC(O)C([O-])=O

> <INCHI_IDENTIFIER>
InChI=1/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1

> <INCHI_KEY>
NGSFWBMYFKHRBD-UHFFFAOYNA-M

> <FORMULA>
C3H5NaO3

> <MOLECULAR_WEIGHT>
112.06

> <EXACT_MASS>
112.0136383

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
7.647967876852455

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium 2-hydroxypropanoate

> <JCHEM_LOGP>
-0.47182951800000017

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.593508084825755

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.784942414122652

> <JCHEM_PKA_STRONGEST_BASIC>
-3.669649383241333

> <JCHEM_POLAR_SURFACE_AREA>
60.36

> <JCHEM_REFRACTIVITY>
29.676900000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
sodium lactate

> <JCHEM_VEBER_RULE>
0

$$$$

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3D-SDF for NP0338412 (Sodium lactate)
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PDB for NP0338412 (Sodium lactate)
HEADER    PROTEIN                                 26-MAY-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-MAY-23         0                                  
HETATM    1  C   UNK     0      -0.076   1.052   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.258   0.282   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       1.258  -1.258   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       2.592   1.052   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       3.926   0.282   0.000  0.00  0.00           O-1
HETATM    6  O   UNK     0       2.592   2.592   0.000  0.00  0.00           O+0
HETATM    7 Na   UNK     0       5.280   0.220   0.000  0.00  0.00          Na+1
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4                                                            
MASTER        0    0    0    0    0    0    0    0    7    0   10    0
END

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3D PDB for NP0338412 (Sodium lactate)
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SMILES for NP0338412 (Sodium lactate)
[Na+].CC(O)C([O-])=O
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INCHI for NP0338412 (Sodium lactate)
InChI=1/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1
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Synonyms
ValueSource
Sodium lactic acidGenerator
Chemical FormulaC3H5NaO3
Average Mass112.0600 Da
Monoisotopic Mass112.01364 Da
IUPAC Namesodium 2-hydroxypropanoate
Traditional Namesodium lactate
CAS Registry NumberNot Available
SMILES
[Na+].CC(O)C([O-])=O
InChI Identifier
InChI=1/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1
InChI KeyNGSFWBMYFKHRBD-UHFFFAOYNA-M
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
ClassificationNot classified
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-0.47ChemAxon
pKa (Strongest Acidic)3.78ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area60.36 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity29.68 m³·mol⁻¹ChemAxon
Polarizability7.65 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkSodium lactate  
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. McCarthy SF, Bornath DPD, Tucker JAL, Hazell TJ: Oral sodium lactate ingestion does not increase blood lactate concentrations and is accompanied by moderate to severe gastrointestinal side effects. J Appl Physiol (1985). 2024 Sep 12. doi: 10.1152/japplphysiol.00536.2024. [PubMed:39262340  ] 
  2. Haskey E, Maund V, Allerton F, Browse B, Heard C, O'Donnell C, Davison K, Hertel C, Booth E, Lawrence S, Dever E, Bowe L, Taylor H, Hall K, Trimble K, Junior M, Fennell C, Stevenson N, Sterritt A, Penn E, Nowell L, Collins A, Jones E, Scudder C: Placement, management and complications associated with peripheral intravenous catheter use in UK small animal practice. J Small Anim Pract. 2024 Sep 5. doi: 10.1111/jsap.13782. [PubMed:39238283  ] 
  3. Zhu J, Zhang Y: Dexmedetomidine inhibits the migration, invasion, and glycolysis of glioblastoma cells by lactylation of c-myc. Neurol Res. 2024 Aug 28:1-8. doi: 10.1080/01616412.2024.2395069. [PubMed:39193894  ] 
  4. Kim P, Sanchez AM, Penke TJR, Tuson HH, Kime JC, McKee RW, Slone WL, Conley NR, McMillan LJ, Prybol CJ, Garofolo PM: Safety, pharmacokinetics, and pharmacodynamics of LBP-EC01, a CRISPR-Cas3-enhanced bacteriophage cocktail, in uncomplicated urinary tract infections due to Escherichia coli (ELIMINATE): the randomised, open-label, first part of a two-part phase 2 trial. Lancet Infect Dis. 2024 Aug 9:S1473-3099(24)00424-9. doi:  10.1016/S1473-3099(24)00424-9. [PubMed:39134085  ] 
  5. Wang Z, Zhang L, Xing T, Zhao L, Gao F: Effects of sodium lactate injection on meat quality and lactate content in broiler chickens: emphasis on injection method and dosage. Poult Sci. 2024 Oct;103(10):104084. doi: 10.1016/j.psj.2024.104084. Epub 2024 Jul  10. [PubMed:39067126  ] 
  6. Zhao Y, Zhang M, Huang X, Liu J, Sun Y, Zhang F, Zhang N, Lei L: Lactate modulates zygotic genome activation through H3K18 lactylation rather than H3K27 acetylation. Cell Mol Life Sci. 2024 Jul 11;81(1):298. doi: 10.1007/s00018-024-05349-2. [PubMed:38992327  ] 
  7. Guedra Allais M, Humm K: Intravenous fluid therapy compared to no treatment following blood donation in cats: a randomised controlled. J Small Anim Pract. 2024 Jul 10. doi: 10.1111/jsap.13760. [PubMed:38988057  ] 
  8. Mun H, Wang D, Zheng J, Ahmad S, Ri M, Ri C, Tang J: Complete 2,4,6-trichlorophenol degradation by anaerobic sludge acclimated with 4-chlorophenol: Synergetic effect of nZVI@BMPC and sodium lactate as an external nutrient. J Hazard Mater. 2024 Sep 5;476:135063. doi: 10.1016/j.jhazmat.2024.135063. Epub  2024 Jun 27. [PubMed:38954853  ] 
  9. Comi G, Colautti A, Bernardi CEM, Stella S, Orecchia E, Coppola F, Iacumin L: Leuconostoc gelidum Is the Major Species Responsible for the Spoilage of Cooked Sausage Packaged in a Modified Atmosphere, and Hop Extract Is the Best Inhibitor Tested. Microorganisms. 2024 Jun 10;12(6):1175. doi: 10.3390/microorganisms12061175. [PubMed:38930557  ] 
  10. Sun M, Wang H, Ye G, Zhang S, Li Z, Cai L, Wang F: Biological characteristics and metabolic phenotypes of different anastomosis groups of Rhizoctonia solani strains. BMC Microbiol. 2024 Jun 20;24(1):217. doi: 10.1186/s12866-024-03363-9. [PubMed:38902632  ]