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Name |
Lactic Acid
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Molecular Formula | C3H6O3 | |
IUPAC Name* |
2-hydroxypropanoic acid
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SMILES |
CC(C(=O)O)O
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InChI |
InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)
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InChIKey |
JVTAAEKCZFNVCJ-UHFFFAOYSA-N
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Synonyms |
lactic acid; 2-hydroxypropanoic acid; DL-Lactic acid; 50-21-5; 2-hydroxypropionic acid; Milk acid; lactate; Tonsillosan; Racemic lactic acid; Ordinary lactic acid; Ethylidenelactic acid; Lactovagan; Acidum lacticum; 26100-51-6; Lactic acid, dl-; Propanoic acid, 2-hydroxy-; Kyselina mlecna; Lacticum acidum; DL-Milchsaeure; (+/-)-Lactic acid; 598-82-3; 1-Hydroxyethanecarboxylic acid; Aethylidenmilchsaeure; alpha-Hydroxypropionic acid; (RS)-2-Hydroxypropionsaeure; FEMA No. 2611; Kyselina 2-hydroxypropanova; Propionic acid, 2-hydroxy-; Purac FCC 80; Purac FCC 88; CCRIS 2951; HSDB 800; (+-)-2-Hydroxypropanoic acid; Lurex; Lactic acid, tech grade; Propanoic acid, hydroxy-; SY-83; DL- lactic acid; NSC 367919; 2-Hydroxypropionicacid; AI3-03130; MFCD00004520; HIPURE 88; NSC-367919; .alpha.-Hydroxypropanoic acid; .alpha.-Hydroxypropionic acid; (R)-2-Hydroxy-propionic acid;H-D-Lac-OH; INS NO.270; E 270; (+/-)-2-hydroxypropanoic acid; CHEBI:78320; INS-270; 3B8D35Y7S4; Lactic acid USP; NCGC00090972-01; 2-hydroxy-propionic acid; Lactic acid (natural); E-270; DSSTox_CID_3192; alpha-Hydroxypropanoic acid; C01432; DSSTox_RID_76915; DSSTox_GSID_23192; Milchsaure [German]; Lactic acid [JAN]; Milchsaure; FEMA Number 2611; Kyselina mlecna [Czech]; 163894-00-6; Cheongin samrakhan; CAS-50-21-5; Cheongin Haewoohwan; Cheongin Haejanghwan; Kyselina 2-hydroxypropanova [Czech]; EINECS 200-018-0; EINECS 209-954-4; Lactic acid [USP:JAN]; EPA Pesticide Chemical Code 128929; BRN 5238667; lactasol; 1-Hydroxyethane 1-carboxylic acid; Biolac; UNII-3B8D35Y7S4; 2-Hydroxy-2-methylacetic acid; Chem-Cast; L- Lactic acid; Lactate (TN); Lactic acid,buffered; 4b5w; Propanoic acid, (+-); DL-Lactic Acid, Racemic; (.+/-.)-Lactic acid; EC 200-018-0; Lactic acid (7CI,8CI); Lactic acid (JP17/USP); Lactic acid, 85%, FCC; Lactic Acid, Racemic, USP; NCIOpen2_000884; LACTIC ACID (+-); DL-LACTIC ACID [MI]; LACTIC ACID [WHO-IP]; (RS)-2-hydroxypropanoic acid; Lactic Acid (Fragrance Grade); LACTICUM ACIDUM [HPUS]; DL-Lactic Acid (90per cent); CHEMBL1200559; DTXSID7023192; Lactic acid, natural, >=85%; BDBM23233; L-lactic acid or dl-lactic acid; Lactic Acid, 85 Percent, FCC; LACTIC ACID, DL- [II]; DL-Lactic acid, ~90% (T); DL-Lactic acid, AR, >=88%; DL-Lactic acid, LR, >=88%; DL- LACTIC ACID [WHO-DD]; Lactic Acid, 10 Percent Solution; HY-B2227; Propanoic acid, 2-hydroxy- (9CI); Tox21_111049; Tox21_202455; Tox21_303616; BBL027466; NSC367919; STL282744; AKOS000118855; AKOS017278364; Tox21_111049_1; ACIDUM LACTICUM [WHO-IP LATIN]; AM87208; DB04398; SB44647; SB44652; Propanoic acid,2-hydroxy-,(.+/-.)-; 2-Hydroxypropionic acid, DL-Lactic acid; NCGC00090972-02; NCGC00090972-03; NCGC00257515-01; NCGC00260004-01; 26811-96-1; Lactic Acid, 85 Percent, Reagent, ACS; DB-071134; CS-0021601; FT-0624390; FT-0625477; FT-0627927; FT-0696525; FT-0774042; L0226; EN300-19542; Lactic acid, meets USP testing specifications; D00111; F71201; A877374; DL-Lactic acid, SAJ first grade, 85.0-92.0%; Q161249; DL-Lactic acid, JIS special grade, 85.0-92.0%; F2191-0200; BC10F553-5D5D-4388-BB74-378ED4E24908; Lactic acid, United States Pharmacopeia (USP) Reference Standard; Lactic acid, Pharmaceutical Secondary Standard; Certified Reference Material; DL-Lactic acid 90%, synthetic, meets the analytical specifications of Ph. Eur.; 152-36-3
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CAS | 50-21-5 | |
PubChem CID | 612 | |
ChEMBL ID | CHEMBL1200559 |
Chemical Classification: |
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Endophyte ID | Endophyte Name | Family | Genus | Taxonomy ID | GenBank ID | Closest GenBank ID | Reference | |
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Endophyte ID | Endophyte Name | Family | Genus | Taxonomy ID | GenBank ID | Closest GenBank ID | Reference |
Bioactivity Name | Target ID | Target Name | Target Type | Target Organism | Target Organism ID | Potency of Bioactivity | Activity Type | Value | Unit | Endophyte ID | Endophyte Name | |
---|---|---|---|---|---|---|---|---|---|---|---|---|
Bioactivity Name | Target ID | Target Name | Target Type | Target Organism | Target Organism ID | Potency of Bioactivity | Activity Type | Value | Unit | Endophyte ID | Endophyte Name |
Molecular Weight: | 90.08 | ALogp: | -0.7 |
HBD: | 2 | HBA: | 3 |
Rotatable Bonds: | 1 | Lipinski's rule of five: | Accepted |
Polar Surface Area: | 57.5 | Aromatic Rings: | 0 |
Heavy Atoms: | 6 | QED Weighted: | 0.472 |
Caco-2 Permeability: | -4.931 | MDCK Permeability: | 0.00352008 |
Pgp-inhibitor: | 0.001 | Pgp-substrate: | 0.539 |
Human Intestinal Absorption (HIA): | 0.008 | 20% Bioavailability (F20%): | 0.034 |
30% Bioavailability (F30%): | 0.009 |
Blood-Brain-Barrier Penetration (BBB): | 0.229 | Plasma Protein Binding (PPB): | 12.67% |
Volume Distribution (VD): | 0.703 | Fu: | 84.13% |
CYP1A2-inhibitor: | 0.014 | CYP1A2-substrate: | 0.248 |
CYP2C19-inhibitor: | 0.022 | CYP2C19-substrate: | 0.503 |
CYP2C9-inhibitor: | 0.005 | CYP2C9-substrate: | 0.191 |
CYP2D6-inhibitor: | 0.005 | CYP2D6-substrate: | 0.224 |
CYP3A4-inhibitor: | 0.006 | CYP3A4-substrate: | 0.061 |
Clearance (CL): | 2.497 | Half-life (T1/2): | 0.88 |
hERG Blockers: | 0.012 | Human Hepatotoxicity (H-HT): | 0.406 |
Drug-inuced Liver Injury (DILI): | 0.14 | AMES Toxicity: | 0.307 |
Rat Oral Acute Toxicity: | 0.07 | Maximum Recommended Daily Dose: | 0.607 |
Skin Sensitization: | 0.783 | Carcinogencity: | 0.107 |
Eye Corrosion: | 0.36 | Eye Irritation: | 0.994 |
Respiratory Toxicity: | 0.103 |
Similar NPs | Similar Drugs | ||||||
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NPs ID | NPs 2D Structure | Similarity Score | TTD ID | Drug 2D Structure | Similarity Score | ||
ENC000010 | ![]() |
0.529 | D08QGD | ![]() |
0.929 | ||
ENC000149 | ![]() |
0.529 | D09PUL | ![]() |
0.529 | ||
ENC000824 | ![]() |
0.524 | D00ZOF | ![]() |
0.500 | ||
ENC000031 | ![]() |
0.500 | D04CRL | ![]() |
0.400 | ||
ENC000289 | ![]() |
0.429 | D02UDJ | ![]() |
0.364 | ||
ENC000009 | ![]() |
0.400 | D08HZC | ![]() |
0.308 | ||
ENC000890 | ![]() |
0.367 | D0G4JI | ![]() |
0.300 | ||
ENC000351 | ![]() |
0.364 | D02FLB | ![]() |
0.294 | ||
ENC000141 | ![]() |
0.346 | D0P0QK | ![]() |
0.292 | ||
ENC000057 | ![]() |
0.333 | D01OPV | ![]() |
0.286 |