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SO3 - Substance Summary (SID 823949)


Data Source:   
Depositor: MMDB
External ID: 18900.10


Depositor-Supplied Synonyms:
SO3


Properties Computed from Structure:
Molecular Weight82.07908 [g/mol]
Molecular FormulaH2O3S
XLogP3-AA-0.5
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count0
Exact Mass81.972465
MonoIsotopic Mass81.972465
Topological Polar Surface Area57.5
Heavy Atom Count4
Formal Charge0
Complexity26.3
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1


Descriptors Computed from Structure:
IUPAC Name: sulfurous acid
Canonical SMILES: OS(=O)O
InChI: InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)
InChIKey: LSNNMFCWUKXFEE-UHFFFAOYSA-N


Substance Information:
SID 823949   
Deposit Date: 2005-06-24
Modify Date: 2009-01-14

CID 1100   
Create Date: 2004-09-16

Related Substances:
Same: 49 Links
Same, Connectivity: 50 Links

Similar Substances: 134 Links


Depositor-Supplied Comments:
PDB Accession Code 1K0L
Pseudomonas Aeruginosa Phbh R220q Free Of P-Ohb
Hydrolase
Pseudomonas Aeruginosa Phbh R220q Free Of P-Ohb Phbh, Fad, Mechanism, Structure Mol_id: 1; Molecule: P-Hydroxybenzoate Hydroxylase; Chain: A; Ec: 1.14.13.2; Engineered: Yes; Mutation: Yes
     
Compound Displayed

2D

3D
Compound ID1100
Molecular Weight82.07908 [g/mol]
Molecular FormulaH2O3S
XLogP3-AA-0.5
H-Bond Donor2
H-Bond Acceptor3


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