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- ChemComp-LLH: (2R,3S,4R)-2,3,4-TRIHYDROXY-5-(HYDROXYAMINO)-5-OXOPENTANOIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: LLH
NameName: (2R,3S,4R)-2,3,4-trihydroxy-5-(hydroxyamino)-5-oxopentanoic acid

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Chemical information

Composition
Formula: C5H9NO7 / Number of atoms: 22 / Formula weight: 195.127 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: LLH / Ideal coordinates details: Corina V3.40
History
Create componentMay 1, 2007
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / PubChem / 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 10.04O=C(O)C(O)C(O)C(O)C(=O)NO
CACTVS 3.341ONC(=O)[CH](O)[CH](O)[CH](O)C(O)=O
OpenEye OEToolkits 1.5.0C(C(C(=O)NO)O)(C(C(=O)O)O)O

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SMILES CANONICAL

CACTVS 3.341ONC(=O)[C@H](O)[C@H](O)[C@@H](O)C(O)=O
OpenEye OEToolkits 1.5.0[C@H]([C@H](C(=O)NO)O)([C@H](C(=O)O)O)O

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InChI

InChI 1.03InChI=1S/C5H9NO7/c7-1(3(9)5(11)12)2(8)4(10)6-13/h1-3,7-9,13H,(H,6,10)(H,11,12)/t1-,2+,3+/m0/s1

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InChIKey

InChI 1.03DMGBHBFPSRKPBV-ZVHKOUPVSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(2R,3S,4R)-2,3,4-trihydroxy-5-(hydroxyamino)-5-oxopentanoic acid (non-preferred name)
OpenEye OEToolkits 1.5.0(2R,3S,4R)-2,3,4-trihydroxy-5-(hydroxyamino)-5-oxo-pentanoic acid

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PDB entries

Showing all 3 items

PDB-2pp1:
Crystal structure of L-talarate/galactarate dehydratase from Salmonella typhimurium LT2 liganded with Mg and L-lyxarohydroxamate

PDB-4hcl:
CRYSTAL STRUCTURE OF D-GLUCARATE DEHYDRATASE FROM AGROBACTERIUM TUMEFACIENS complexed with magnesium and L-Lyxarohydroxamate

PDB-4mmw:
Crystal structure of D-glucarate dehydratase from Agrobacterium tumefaciens complexed with magnesium, L-Xylarohydroxamate and L-Lyxarohydroxamate

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