Synonyms:
Status: Approved (1985)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: RRX6A4PL3C

Structure

InChI Key FEWJPZIEWOKRBE-LWMBPPNESA-N
Smile O=C(O)[C@@H](O)[C@H](O)C(=O)O
InChI
InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6O6
Molecular Weight 150.09
AlogP -2.12
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 115.06
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 10.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 0

Cross References

Resources Reference
ChEBI 15672
ChEMBL CHEMBL1200861
DrugBank DB01694
EPA CompTox DTXSID4043775
FDA SRS RRX6A4PL3C
Human Metabolome Database HMDB0029878
KEGG C02107
PDB TAR
PubChem 444305
SureChEMBL SCHEMBL116846
ZINC ZINC000000895296