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- ChemComp-E1U: (2S)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-... -

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Basic information

EntryDatabase: PDB chemical components / ID: E1U
NameName: (2S)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-phosphonooxy-propanoic acid

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Chemical information

Composition
Formula: C11H16N2O11P2 / Number of atoms: 42 / Formula weight: 414.199 / Formal charge: 0
Others

6l0p

Type: non-polymer / PDB classification: HETAIN / Three letter code: E1U / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6L0P
History
Create componentOct 2, 2019
Initial releaseSep 23, 2020
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

CACTVS 3.385Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](CO[P](O)(O)=O)C(O)=O)c1O
OpenEye OEToolkits 2.0.7Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(COP(=O)(O)O)C(=O)O)O

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SMILES CANONICAL

CACTVS 3.385Cc1ncc(CO[P](O)(O)=O)c(C=N[C@@H](CO[P](O)(O)=O)C(O)=O)c1O
OpenEye OEToolkits 2.0.7Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](COP(=O)(O)O)C(=O)O)O

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InChI

InChI 1.03InChI=1S/C11H16N2O11P2/c1-6-10(14)8(7(2-12-6)4-23-25(17,18)19)3-13-9(11(15)16)5-24-26(20,21)22/h2-3,9,14H,4-5H2,1H3,(H,15,16)(H2,17,18,19)(H2,20,21,22)/t9-/m0/s1

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InChIKey

InChI 1.03OWXVBOWGCHCIMU-VIFPVBQESA-N

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PDB entries

Showing all 4 items

PDB-6l0p:
Crystal Structure of the O-Phosphoserine Sulfhydrylase from Aeropyrum pernix Complexed with O-Phosphoserine

PDB-6l0q:
Crystal Structure of the O-Phosphoserine Sulfhydrylase from Aeropyrum pernix Complexed with O-Phosphoserine

PDB-8a5w:
Crystal structure of the human phosphoserine aminotransferase (PSAT) in complex with O-phosphoserine

PDB-9k3o:
Crystal structure of CapA2 from Alistipes finegoldii in complex with OPS-PLP external aldimine

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