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Record Information
Version4.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:52 UTC
Update Date2018-05-20 20:21:48 UTC
HMDB IDHMDB0015671
Secondary Accession Numbers
  • HMDB15671
Metabolite Identification
Common NameAmmonium lactate
DescriptionAmmonium lactate, also known as L lactic acid or lactate, belongs to the class of organic compounds known as carboxylic acid salts. These are ionic derivatives of carboxylic acid. Ammonium lactate is a drug which is used for the treatment of dry, scaly skin (xerosis) and ichthyosis vulgaris and for temporary relief of itching associated with these conditions. Ammonium lactate is soluble (in water) and a weakly acidic compound (based on its pKa). Ammonium lactate has been detected in multiple biofluids, such as urine and blood.
Structure
Thumb
Synonyms
ValueSource
Lactic acid ammonium saltKegg
Lac-hydrinKegg
Lactate ammonium saltGenerator
Ammonium lactic acidGenerator
Ammonium (+-)-lactateHMDB
2 Hydroxypropanoic acidMeSH
2 Hydroxypropionic acidMeSH
2-Hydroxypropanoic acidMeSH
L Lactic acidMeSH
LactateMeSH
D Lactic acidMeSH
L-Lactic acidMeSH
Lactate, ammoniumMeSH
Lactic acidMeSH
2-Hydroxypropionic acidMeSH
D-Lactic acidMeSH
Sarcolactic acidMeSH
Chemical FormulaC3H9NO3
Average Molecular Weight107.1085
Monoisotopic Molecular Weight107.058243159
IUPAC Nameammonium 2-hydroxypropanoate
Traditional Nameammonium lactate
CAS Registry Number515-98-0
SMILES
[NH4+].CC(O)C([O-])=O
InChI Identifier
InChI=1S/C3H6O3.H3N/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);1H3
InChI KeyRZOBLYBZQXQGFY-UHFFFAOYSA-N
Chemical Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as carboxylic acid salts. These are ionic derivatives of carboxylic acid.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassCarboxylic acid derivatives
Direct ParentCarboxylic acid salts
Alternative Parents
Substituents
  • Secondary alcohol
  • Carboxylic acid salt
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organic salt
  • Organic zwitterion
  • Organooxygen compound
  • Carbonyl group
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Biological location:

Role

Industrial application:

Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility866 g/LNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
Water Solubility866 g/LALOGPS
logP-0.51ALOGPS
logP-0.47ChemAxon
logS0.91ALOGPS
pKa (Strongest Acidic)3.78ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-1ChemAxon
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
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-01ox-9000000000-0d6d923f37cf0d0cda4cView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0a4i-0900000000-8daa940f0d1760f4f428View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0a4i-0900000000-8daa940f0d1760f4f428View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a4i-0900000000-8daa940f0d1760f4f428View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a4i-0900000000-a2b6f92a21c681ac44d0View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0a4i-0900000000-a2b6f92a21c681ac44d0View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a4i-0900000000-a2b6f92a21c681ac44d0View in MoNA
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not Quantified Not AvailableNot AvailableTaking drug identified by DrugBank entry DB06768 details
UrineExpected but not Quantified Not AvailableNot AvailableTaking drug identified by DrugBank entry DB06768 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB06768
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID56149
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkAmmonium lactate
METLIN IDNot Available
PubChem Compound62358
PDB IDNot Available
ChEBI ID774698
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available