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- ChemComp-G88: (2S)-2-(PHOSPHONOMETHYL)PENTANEDIOIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: G88
NameName: (2S)-2-(phosphonomethyl)pentanedioic acid

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Chemical information

Composition
Formula: C6H11O7P / Number of atoms: 25 / Formula weight: 226.121 / Formal charge: 0
Others

2jbj

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: G88 / Ideal coordinates details: OpenEye/OEToolkits V1.4.2 / Model coordinates PDB-ID: 2JBJ
History
Create componentDec 7, 2006
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=P(O)(O)CC(C(=O)O)CCC(=O)O
CACTVS 3.341OC(=O)CC[CH](C[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C(CC(=O)O)C(CP(=O)(O)O)C(=O)O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)/t4-/m1/s1

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InChIKey

InChI 1.03ISEYJGQFXSTPMQ-SCSAIBSYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(2S)-2-(phosphonomethyl)pentanedioic acid
OpenEye OEToolkits 1.5.0(2S)-2-(phosphonomethyl)pentanedioic acid

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PDB entries

Showing all 4 items

PDB-2jbj:
membrane-bound glutamate carboxypeptidase II (GCPII) in complex with 2-PMPA (2-phosphonoMethyl-pentanedioic acid)

PDB-2pvw:
A high resolution structure of human glutamate carboxypeptidase II (GCPII) in complex with 2-(phosphonomethyl)pentanedioic acid (2-PMPA)

PDB-3rbu:
N-terminally AviTEV-tagged Human Glutamate Carboxypeptidase II in complex with 2-PMPA

PDB-6rti:
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with aptamer A9g

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