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- ChemComp-11C: (2R)-2-aminohexanedioic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: 11C
NameName: (2R)-2-aminohexanedioic acid / Synonyms: D-2-aminoadipate

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Chemical information

Composition
Formula: C6H11NO4 / Number of atoms: 22 / Formula weight: 161.156 / Formal charge: 0
Others

3pws

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 11C / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3PWS
History
Create componentDec 9, 2010
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / Metabolights / Nikkaji / PubChem / PubChem_TPharma / 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(N)CCCC(=O)O
CACTVS 3.370N[CH](CCCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.0C(CC(C(=O)O)N)CC(=O)O

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SMILES CANONICAL

CACTVS 3.370N[C@H](CCCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.0C(C[C@H](C(=O)O)N)CC(=O)O

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InChI

InChI 1.03InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m1/s1

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InChIKey

InChI 1.03OYIFNHCXNCRBQI-SCSAIBSYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2R)-2-aminohexanedioic acid
OpenEye OEToolkits 1.7.0(2R)-2-azanylhexanedioic acid

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PDB entries

Showing all 1 items

PDB-3pws:
Crystal Structure of Aspartate beta-Semialdehide Dehydrogenase from Streptococcus pneumoniae with 2',5'-Adenosine diphosphate and D-2-aminoadipate

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