OSB

2-SUCCINYLBENZOATE

Created:	2000-08-11
Last modified:	2020-06-05

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3 entries where OSB is found as a standalone ligand1 entries where OSB is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	6

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Chemical Component Summary
Name	2-SUCCINYLBENZOATE
Synonyms	O-SUCCINYLBENZOATE
Systematic Name (OpenEye OEToolkits)	2-(4-hydroxy-4-oxo-butanoyl)benzoic acid
Formula	C₁₁ H₁₀ O₅
Molecular Weight	222.194
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)c1ccccc1C(=O)CCC(=O)O
SMILES	CACTVS	3.341	OC(=O)CCC(=O)c1ccccc1C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(c(c1)C(=O)CCC(=O)O)C(=O)O
Canonical SMILES	CACTVS	3.341	OC(=O)CCC(=O)c1ccccc1C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(c(c1)C(=O)CCC(=O)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C11H10O5/c12-9(5-6-10(13)14)7-3-1-2-4-8(7)11(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16)
InChIKey	InChI	1.03	YIVWQNVQRXFZJB-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02251
Name	O-Succinylbenzoate
Groups	experimental
Synonyms	O-Succinylbenzoate
Categories	Acids, Carbocyclic
CAS number	27415-09-4

Drug Targets

Name	Target Sequence	Pharmacological Action
O-succinylbenzoate-CoA synthase	MTGRAFAIPLRTRFRGITVREGMLVRGAAGWGEFSPFAEYGPRECARWWA...	unknown
N-acylamino acid racemase	MKLSGVELRRVQMPLVAPFRTSFGTQSVRELLLLRAVTPAGEGWGECVTM...	unknown
o-succinylbenzoate synthase	MRSAQVYRWQIPMDAGVVLRDRRLKTRDGLYVCLREGEREGWGEISPLPG...	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