BHC

BENZENE HEXACARBOXYLIC ACID

Created:	1999-07-08
Last modified:	2011-06-04

Find Related PDB Entry
4 entries where BHC is found as a standalone ligand

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	6

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	BENZENE HEXACARBOXYLIC ACID
Systematic Name (OpenEye OEToolkits)	benzene-1,2,3,4,5,6-hexacarboxylic acid
Formula	C₁₂ H₆ O₁₂
Molecular Weight	342.169
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)c1c(c(c(c(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O
SMILES	CACTVS	3.341	OC(=O)c1c(C(O)=O)c(C(O)=O)c(C(O)=O)c(C(O)=O)c1C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1(c(c(c(c(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O
Canonical SMILES	CACTVS	3.341	OC(=O)c1c(C(O)=O)c(C(O)=O)c(C(O)=O)c(C(O)=O)c1C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1(c(c(c(c(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C12H6O12/c13-7(14)1-2(8(15)16)4(10(19)20)6(12(23)24)5(11(21)22)3(1)9(17)18/h(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKey	InChI	1.03	YDSWCNNOKPMOTP-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB01681
Name	Benzene Hexacarboxylic Acid
Groups	experimental
Synonyms	Benzene Hexacarboxylic Acid
Categories	Acids, Carbocyclic Benzene Derivatives
CAS number	517-60-2

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Phosphoglycerate mutase 2	MATHRLVMVRHGESTWNQENRFCGWFDAELSEKGTEEAKRGAKAIKDAKM...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682