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- ChemComp-H9L: 4-methylsulfanyl-2-oxidanyl-butanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: H9L
NameName: 4-methylsulfanyl-2-oxidanyl-butanoic acid

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Chemical information

Composition
Formula: C5H10O3S / Number of atoms: 19 / Formula weight: 150.196 / Formal charge: 0
Others

7dff
PDB Unreleased entry

Type: non-polymer / PDB classification: HETAIN / Three letter code: H9L / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7DFF
History
Create componentDec 7, 2020
Initial releaseJun 1, 2022
External linksUniChem / ChemSpider / ChEBI / ChemicalBook / CompTox / DrugBank / HMDB / LipidMaps / Nikkaji / PubChem / PubChem_TPharma / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385CSCC[CH](O)C(O)=O
OpenEye OEToolkits 2.0.7CSCCC(C(=O)O)O

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SMILES CANONICAL

CACTVS 3.385CSCC[C@@H](O)C(O)=O
OpenEye OEToolkits 2.0.7CSCCC(C(=O)O)O

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InChI

InChI 1.03InChI=1S/C5H10O3S/c1-9-3-2-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)

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InChIKey

InChI 1.03ONFOSYPQQXJWGS-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7wdw:
DsyB in complex with SAH and MTHB

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