Molecular Identity
citric acid
2-hydroxypropane-1,2,3-tricarboxylic acid
PubChem CID: 311
Citric acid is a tricarboxylic acid that is propane-1,2,3-tricarboxylic acid bearing a hydroxy substituent at position 2. It is an important metabolite in the pathway of all aerobic organisms. It has a role as a calcium chelator, an antimicrobial agent, a chelator, a food acidity regulator and a fundamental metabolite. It is a conjugate acid of a citrate anion and a citrate(1-).
2D Structure
Properties
C6H8O7
Molecular Formula
192.12
Molecular Weight
g/mol
192.0270
Exact Mass
Da
-1.7
XLogP
Drug-like (Lipinski: < 5)
132
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
7
H-Bond Acceptors
227
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
citric acid77-92-92-hydroxypropane-1,2,3-tricarboxylic acidCitric acid, anhydrousAcilettenAnhydrous citric acidCitroCitrettenCitric acid anhydrousChemfillHydrocerol A1,2,3-Propanetricarboxylic acid, 2-hydroxy-2-hydroxy-1,2,3-propanetricarboxylic acidKyselina citronova2-Hydroxytricarballylic acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to citric acid
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