Ammonium lactate (CED0000640)

Record Information

Version

1.0

Creation Date

2016-05-25 18:30:05 UTC

Update Date

2026-05-14 18:23:59 UTC

Accession Number

CHEM022366

Identification

Common Name

Ammonium lactate

Class

Small Molecule

Description

Ammonium lactate is an organic compound with the chemical formula C3H9NO3 and an average molecular weight of 107.11 g/mol. Ammonium lactate belongs to the carboxylic acid derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. In industrial applications, the compound serves several roles and uses. It is utilized as a humectant, a pH regulating agent, and a softener and conditioner. Additionally, it is employed for pharmaceutical purposes.

Contaminant Type

Human Neurotoxin

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Lactic acid ammonium salt	Kegg
Lac-hydrin	Kegg
Lactate ammonium salt	Generator
Ammonium lactic acid	Generator
Ammonium (+-)-lactate	HMDB
2 Hydroxypropanoic acid	MeSH
2 Hydroxypropionic acid	MeSH
2-Hydroxypropanoic acid	MeSH
L Lactic acid	MeSH
Lactate	MeSH
D Lactic acid	MeSH
L-Lactic acid	MeSH
Lactate, ammonium	MeSH
Lactic acid	MeSH
2-Hydroxypropionic acid	MeSH
D-Lactic acid	MeSH
Sarcolactic acid	MeSH
2-Hydroxypropanoate amine	Generator

Chemical Formula

C₃H₉NO₃

Average Molecular Mass

107.109 g/mol

Monoisotopic Mass

107.058 g/mol

CAS Registry Number

515-98-0

IUPAC Name

ammonium 2-hydroxypropanoate

Traditional Name

ammonium lactate

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 Key

RZOBLYBZQXQGFY-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as carboxylic acid salts. These are ionic derivatives of carboxylic acid.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Carboxylic acid derivatives

Direct Parent

Carboxylic 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 Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	866 g/L	ALOGPS
logP	-0.51	ALOGPS
logP	-0.47	ChemAxon
logS	0.91	ALOGPS
pKa (Strongest Acidic)	3.78	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	60.36 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	29.68 m³·mol⁻¹	ChemAxon
Polarizability	7.65 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-01ox-9000000000-0d6d923f37cf0d0cda4c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-0900000000-8daa940f0d1760f4f428	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-0900000000-8daa940f0d1760f4f428	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-0900000000-8daa940f0d1760f4f428	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-0900000000-a2b6f92a21c681ac44d0	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-0900000000-a2b6f92a21c681ac44d0	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-0900000000-a2b6f92a21c681ac44d0	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
2217.0	Log mg/kg	[1200:3900]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
490		Personal care & cosmetics	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	3-isopropylmalate dehydrogenase	Q5SIY4	Thermus thermophilus	Predicted (SEA)	0.0778492
Click to view 3D structure	CAI-1 autoinducer sensor kinase/phosphatase CqsS	Q9KM66	Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)	Predicted (SEA)	33.2416
Click to view 3D structure	Aminopeptidase N	P04825	Escherichia coli (strain K12)	Predicted (SEA)	11.7552
Click to view 3D structure	Excitatory amino acid transporter 3	P51907	Rattus norvegicus	Predicted (SEA)	13.8572
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	5409.66
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	4733.39
Click to view 3D structure	Free fatty acid receptor 3	B2GV46	Rattus norvegicus	Predicted (SEA)	1.86838
Click to view 3D structure	Cytosol aminopeptidase	P00727	Bos taurus	Predicted (SEA)	607.691
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	5491.72
Click to view 3D structure	Glutamine synthetase	P0A9C5	Escherichia coli K-12	Predicted (SEA)	22.4984
Click to view 3D structure	S-methylmethionine--homocysteine S-methyltransferase BHMT2	Q9H2M3	Humans	Predicted (SEA)	19.4623
Click to view 3D structure	Matrix metalloproteinase-9	P14780	Humans	Predicted (SEA)	5775.09
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	5472.8
Click to view 3D structure	Cytosol aminopeptidase	P28838	Humans	Predicted (SEA)	1043.65
Click to view 3D structure	Carnitine O-palmitoyltransferase 2, mitochondrial	P23786	Humans	Predicted (SEA)	1529.35
Click to view 3D structure	Prostaglandin G/H synthase 1	P23219	Humans	Predicted (SEA)	5214.65
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	5935.3
Click to view 3D structure	Succinyl-diaminopimelate desuccinylase	P44514	Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)	Predicted (SEA)	23.5105
Click to view 3D structure	D-alanyl-D-alanine dipeptidase	Q06241	Enterococcus faecium	Predicted (SEA)	52.8596
Click to view 3D structure	Mitochondrial carnitine/acylcarnitine carrier protein	O43772	Humans	Predicted (SEA)	45.2304
Click to view 3D structure	Prostaglandin G/H synthase 1	P05979	Ovis aries	Predicted (SEA)	4560.95
Click to view 3D structure	Collagenase 3	P45452	Humans	Predicted (SEA)	6505.0
Click to view 3D structure	Neutrophil collagenase	P22894	Humans	Predicted (SEA)	5407.95
Click to view 3D structure	Glutamate receptor ionotropic, kainate 1	P39086	Humans	Predicted (SEA)	508.278
Click to view 3D structure	Metabotropic glutamate receptor 2	Q14416	Humans	Predicted (SEA)	5009.91