Citric Acid

Details

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Internal ID a2cebe16-badc-433f-9ae5-e4c121a1ee89
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Tricarboxylic acids and derivatives
IUPAC Name 2-hydroxypropane-1,2,3-tricarboxylic acid
SMILES (Canonical) C(C(=O)O)C(CC(=O)O)(C(=O)O)O
SMILES (Isomeric) C(C(=O)O)C(CC(=O)O)(C(=O)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)
InChI Key KRKNYBCHXYNGOX-UHFFFAOYSA-N
Popularity 76,812 references in papers

Physical and Chemical Properties

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Molecular Formula C6H8O7
Molecular Weight 192.12 g/mol
Exact Mass 192.02700259 g/mol
Topological Polar Surface Area (TPSA) 132.00 Ų
XlogP -1.70

Synonyms

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77-92-9
Citric acid, anhydrous
2-hydroxypropane-1,2,3-tricarboxylic acid
Aciletten
Anhydrous citric acid
Citro
Citretten
Chemfill
Hydrocerol A
Citric acid anhydrous
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Citric Acid

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.68% 96.09%
CHEMBL2581 P07339 Cathepsin D 85.80% 98.95%
CHEMBL4040 P28482 MAP kinase ERK2 83.45% 83.82%

Cross-Links

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PubChem 311
NPASS NPC293378
ChEMBL CHEMBL1261
LOTUS LTS0213921
wikiData Q159683