CITRIC ACID

Search structure
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: Parent
ATC: A09AB04
UNII: XF417D3PSL

Structure
InChI Key KRKNYBCHXYNGOX-UHFFFAOYSA-N
Smile O=C(O)CC(O)(CC(=O)O)C(=O)O
InChI
InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H8O7
Molecular Weight 192.12
AlogP -1.25
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 5.0
Polar Surface Area 132.13
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 13.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Lyase
- - 2500 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Renal Insufficiency 3 D051437 ClinicalTrials
Nephrocalcinosis 3 D009397 ClinicalTrials
Cataract 2 D002386 ClinicalTrials
Tension-Type Headache 2 D018781 ClinicalTrials
Kidney Calculi 2 D007669 ClinicalTrials
Osteoarthritis 1 D010003 ClinicalTrials

Related Entries

Mixture
Mixture
Mixture
Mixture

Cross References

Resources Reference
CAS NUMBER 77-92-9
ChEBI 30769
ChEMBL CHEMBL1261
DrugBank DB04272
DrugCentral 666
EPA CompTox DTXSID3020332
FDA SRS XF417D3PSL
Human Metabolome Database HMDB0000094
Guide to Pharmacology 2478
KEGG C00158
PDB CIT
PharmGKB PA449021
SureChEMBL SCHEMBL842
ZINC ZINC000000895081
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