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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL330546
CHEMBL330546
Compound Name L-LACTIC ACID
ChEMBL Synonyms L-Lactic Acid
Max Phase 0
Trade Names
Molecular Formula C3H6O3

Additional synonyms for CHEMBL330546 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H](O)C(=O)O
Standard InChI InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1
Standard InChI Key JVTAAEKCZFNVCJ-REOHCLBHSA-N

Sources

  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL330546

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
90.1 90.0317 -0.39 1 57.53 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.91 - -.85 -4.4 0 6 0.46

Structural Alerts

There are no structural alerts for CHEMBL330546

Compound Cross References

ChemSpider ChemSpider:JVTAAEKCZFNVCJ-REOHCLBHSA-N
Wikipedia Lactic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL330546



ACToR 1715-99-7 598-82-3 26811-96-1
Brenda 403 44285 669 170083 57433 16100
ChEBI 422
eMolecules 477273
EPA CompTox Dashboard DTXSID6034689
FDA SRS F9S9FFU82N
Guide to Pharmacology 2932
Human Metabolome Database HMDB0000190
IBM Patent System 44713CEDD65688CD31CA8B5E4BF5937A
KEGG Ligand C00186
Mcule MCULE-8864689875
Metabolights MTBLC422
MolPort MolPort-003-848-345
Nikkaji J9.134K
PDBe 2OP
PubChem 107689
PubChem: Thomson Pharma 15119658 15296943
SureChEMBL SCHEMBL16958
ZINC ZINC000004658560

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/JVTAAEKCZFNVCJ-REOHCLBHSA-N spacer
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