CITRIC ACID

Search structure
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: Parent
ATC: A09AB04
UNII: 2968PHW8QP

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 Hydrolase
- - - 490000 -
Enzyme Lyase
- - 2500 - -
Enzyme Oxidoreductase
- 488000-627900 - - -
Enzyme Transferase
- - - - 9.131
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -13.59--1.16
Epigenetic regulator Eraser Lysine demethylase Jumonji domain-containing
- 800000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Renal Insufficiency 3 D051437 ClinicalTrials
Nephrocalcinosis 3 D009397 ClinicalTrials
Tension-Type Headache 2 D018781 ClinicalTrials
Kidney Calculi 2 D007669 ClinicalTrials
Cataract 2 D002386 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 2968PHW8QP
Human Metabolome Database HMDB00094
Guide to Pharmacology 2478
KEGG C00158
PDB CIT
PharmGKB PA449021
PubChem 19782904
SureChEMBL SCHEMBL842
ZINC ZINC000000895081
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