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- ChemComp-HCT: (2R)-butane-1,2,4-tricarboxylic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: HCT
NameName: (2R)-butane-1,2,4-tricarboxylic acid

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Chemical information

Composition
Formula: C7H10O6 / Number of atoms: 23 / Formula weight: 190.151 / Formal charge: 0
Others

3dp8

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HCT / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3DP8
History
Create componentJul 11, 2008
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / 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 10.04O=C(O)CCC(C(=O)O)CC(=O)O
CACTVS 3.341OC(=O)CC[CH](CC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C(CC(=O)O)C(CC(=O)O)C(=O)O

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SMILES CANONICAL

CACTVS 3.341OC(=O)CC[C@H](CC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C(CC(=O)O)[C@H](CC(=O)O)C(=O)O

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InChI

InChI 1.03InChI=1S/C7H10O6/c8-5(9)2-1-4(7(12)13)3-6(10)11/h4H,1-3H2,(H,8,9)(H,10,11)(H,12,13)/t4-/m1/s1

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InChIKey

InChI 1.03LOGBRYZYTBQBTB-SCSAIBSYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(2R)-butane-1,2,4-tricarboxylic acid
OpenEye OEToolkits 1.5.0(2R)-butane-1,2,4-tricarboxylic acid

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PDB entries

Showing all 2 items

PDB-3dp8:
Structural characterization of a putative endogenous metal chelator in the periplasmic nickel transporter NikA (nickel butane-1,2,4-tricarboxylate form)

PDB-3e3k:
Structural characterization of a putative endogenous metal chelator in the periplasmic nickel transporter NikA (butane-1,2,4-tricarboxylate without nickel form)

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