Chemical Components in the PDB

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OSB : Summary

Code

OSB

One-letter code

X

Molecule name

2-SUCCINYLBENZOATE

Synonyms

O-SUCCINYLBENZOATE

Systematic names

ProgramVersionName
ACDLabs 10.04 2-(3-carboxypropanoyl)benzoic acid
OpenEye OEToolkits 1.5.0 2-(4-hydroxy-4-oxo-butanoyl)benzoic acid

Formula

C11 H10 O5

Formal charge

0

Molecular weight

222.194 Da

SMILES

TypeProgramVersionDescriptor
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

IUPAC InChI

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)

IUPAC InChI key

YIVWQNVQRXFZJB-UHFFFAOYSA-N
OSB

wwPDB Information

Atom count

26 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-08-11

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned