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- ChemComp-EAX: (2R,3R)-2,3,4-trihydroxybutanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: EAX
NameName: (2R,3R)-2,3,4-trihydroxybutanoic acid / Synonyms: erythronic acid

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Chemical information

Composition
Formula: C4H8O5 / Number of atoms: 17 / Formula weight: 136.103 / Formal charge: 0
Others

4p9k

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: EAX / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4P9K
History
Create componentApr 7, 2014
Initial releaseMay 7, 2014
Modify descriptorSep 5, 2014
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / Brenda / ChEBI / HMDB / Metabolights / NMRShiftDB / Nikkaji / PubChem / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01O=C(O)C(O)C(O)CO
CACTVS 3.385OC[CH](O)[CH](O)C(O)=O
OpenEye OEToolkits 1.9.2C(C(C(C(=O)O)O)O)O

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SMILES CANONICAL

CACTVS 3.385OC[C@@H](O)[C@@H](O)C(O)=O
OpenEye OEToolkits 1.9.2C([C@H]([C@H](C(=O)O)O)O)O

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InChI

InChI 1.03InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3-/m1/s1

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InChIKey

InChI 1.03JPIJQSOTBSSVTP-PWNYCUMCSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2R,3R)-2,3,4-trihydroxybutanoic acid
OpenEye OEToolkits 1.9.2(2R,3R)-2,3,4-tris(oxidanyl)butanoic acid

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PDB entries

Showing all 3 items

PDB-4p9k:
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM VERMINEPHROBACTER EISENIAE EF01-2 (Veis_3954, TARGET EFI-510324) A NEPHRIDIAL SYMBIONT OF THE EARTHWORM EISENIA FOETIDA, BOUND TO D-ERYTHRONATE WITH RESIDUAL DENSITY SUGGESTIVE OF SUPERPOSITION WITH COPURIFIED ALTERNATIVE LIGAND.

PDB-4pdd:
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM POLAROMONAS SP JS666 (Bpro_0088, TARGET EFI-510167) BOUND TO D-ERYTHRONATE

PDB-4pdh:
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM POLAROMONAS SP JS666 (Bpro_1871, TARGET EFI-510164) BOUND TO D-ERYTHRONATE

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