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- ChemComp-K8P: [(2~{R},3~{R})-2,3-bis(oxidanyl)-3-[[(2~{S})-3-oxidanylidenepent-... -

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Basic information

EntryDatabase: PDB chemical components / ID: K8P
NameName: [(2~{R},3~{R})-2,3-bis(oxidanyl)-3-[[(2~{S})-3-oxidanylidenepent-4-en-2-yl]amino]propyl] dihydrogen phosphate

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Chemical information

Composition
Formula: C8H16NO7P / Number of atoms: 33 / Formula weight: 269.189 / Formal charge: 0
Others

5lnw

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: K8P / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5LNW
History
Create componentAug 11, 2016
Initial releaseJan 18, 2017
Modify atom idMay 10, 2019
Modify atom idMay 11, 2019
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

CACTVS 3.385C[CH](N[CH](O)[CH](O)CO[P](O)(O)=O)C(=O)C=C
OpenEye OEToolkits 2.0.5CC(C(=O)C=C)NC(C(COP(=O)(O)O)O)O

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SMILES CANONICAL

CACTVS 3.385C[C@H](N[C@H](O)[C@H](O)CO[P](O)(O)=O)C(=O)C=C
OpenEye OEToolkits 2.0.5C[C@@H](C(=O)C=C)N[C@@H]([C@@H](COP(=O)(O)O)O)O

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InChI

InChI 1.03InChI=1S/C8H16NO7P/c1-3-6(10)5(2)9-8(12)7(11)4-16-17(13,14)15/h3,5,7-9,11-12H,1,4H2,2H3,(H2,13,14,15)/t5-,7+,8+/m0/s1

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InChIKey

InChI 1.03UJGBYPNOGNUCKJ-UIISKDMLSA-N

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PDB entries

Showing all 1 items

PDB-5lnw:
Crystal structure of Arabidopsis thaliana Pdx1-I320-G3P complex

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