L-Lactic acid

Details

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Internal ID 95412dd9-d258-41db-abe6-355eec6f2a40
Taxonomy Organic acids and derivatives > Hydroxy acids and derivatives > Alpha hydroxy acids and derivatives
IUPAC Name (2S)-2-hydroxypropanoic acid
SMILES (Canonical) CC(C(=O)O)O
SMILES (Isomeric) C[C@@H](C(=O)O)O
InChI InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1
InChI Key JVTAAEKCZFNVCJ-REOHCLBHSA-N
Popularity 49,153 references in papers

Physical and Chemical Properties

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Molecular Formula C3H6O3
Molecular Weight 90.08 g/mol
Exact Mass 90.031694049 g/mol
Topological Polar Surface Area (TPSA) 57.50 Ų
XlogP -0.70
Atomic LogP (AlogP) -0.55
H-Bond Acceptor 2
H-Bond Donor 2
Rotatable Bonds 1

Synonyms

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79-33-4
L-(+)-Lactic acid
(S)-Lactic acid
(S)-2-Hydroxypropanoic acid
Sarcolactic acid
(2S)-2-hydroxypropanoic acid
(S)-2-Hydroxypropionic acid
(+)-Lactic acid
(S)-(+)-Lactic acid
Paralactic acid
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of L-Lactic acid

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
Human Intestinal Absorption + 0.9557 95.57%
Caco-2 - 0.9373 93.73%
Blood Brain Barrier + 0.6750 67.50%
Human oral bioavailability - 0.5000 50.00%
Subcellular localzation Mitochondria 0.8221 82.21%
OATP2B1 inhibitior - 0.8590 85.90%
OATP1B1 inhibitior + 0.9557 95.57%
OATP1B3 inhibitior + 0.9643 96.43%
MATE1 inhibitior - 1.0000 100.00%
OCT2 inhibitior - 1.0000 100.00%
BSEP inhibitior - 0.9561 95.61%
P-glycoprotein inhibitior - 0.9894 98.94%
P-glycoprotein substrate - 0.9965 99.65%
CYP3A4 substrate - 0.8426 84.26%
CYP2C9 substrate + 0.5963 59.63%
CYP2D6 substrate - 0.8730 87.30%
CYP3A4 inhibition - 0.9814 98.14%
CYP2C9 inhibition - 0.8844 88.44%
CYP2C19 inhibition - 0.9797 97.97%
CYP2D6 inhibition - 0.9757 97.57%
CYP1A2 inhibition - 0.9677 96.77%
CYP2C8 inhibition - 0.9991 99.91%
CYP inhibitory promiscuity - 0.9840 98.40%
UGT catelyzed + 0.9000 90.00%
Carcinogenicity (binary) + 0.5141 51.41%
Carcinogenicity (trinary) Non-required 0.7436 74.36%
Eye corrosion + 0.9827 98.27%
Eye irritation + 0.8926 89.26%
Skin irritation + 0.8154 81.54%
Skin corrosion + 0.9671 96.71%
Ames mutagenesis - 0.9700 97.00%
Human Ether-a-go-go-Related Gene inhibition - 0.8674 86.74%
Micronuclear - 0.6300 63.00%
Hepatotoxicity - 0.7500 75.00%
skin sensitisation - 0.7475 74.75%
Respiratory toxicity - 0.9778 97.78%
Reproductive toxicity - 0.6667 66.67%
Mitochondrial toxicity - 0.9625 96.25%
Nephrotoxicity - 0.5729 57.29%
Acute Oral Toxicity (c) III 0.8644 86.44%
Estrogen receptor binding - 0.9323 93.23%
Androgen receptor binding - 0.9347 93.47%
Thyroid receptor binding - 0.8522 85.22%
Glucocorticoid receptor binding - 0.8842 88.42%
Aromatase binding - 0.8979 89.79%
PPAR gamma - 0.8433 84.33%
Honey bee toxicity - 0.9764 97.64%
Biodegradation + 0.9750 97.50%
Crustacea aquatic toxicity - 0.9900 99.00%
Fish aquatic toxicity - 0.7067 70.67%

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
CHEMBL4096 P04637 Cellular tumor antigen p53 25.1 nM
Potency
via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL4040 P28482 MAP kinase ERK2 96.00% 83.82%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.25% 96.09%
CHEMBL2581 P07339 Cathepsin D 88.53% 98.95%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 86.24% 85.14%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 81.36% 100.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 80.29% 93.56%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Aloe africana
Aloe ferox
Aloe spicata
Aloe vera
Arabidopsis thaliana
Digitalis purpurea
Pogostemon cablin
Prunus mume
Typha latifolia
Wurfbainia neoaurantiaca

Cross-Links

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PubChem 107689
NPASS NPC178595
LOTUS LTS0033597
wikiData Q27080955