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- ChemComp-IPL: INDOLE-3-PROPANOL PHOSPHATE -

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Basic information

EntryDatabase: PDB chemical components / ID: IPL
NameName: indole-3-propanol phosphate

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Chemical information

Composition
Formula: C11H14NO4P / Number of atoms: 31 / Formula weight: 255.207 / Formal charge: 0
Others

1beu

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: IPL / Model coordinates PDB-ID: 1BEU
History
Create componentJun 30, 2000
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)OCCCc2c1ccccc1nc2
CACTVS 3.341O[P](O)(=O)OCCCc1c[nH]c2ccccc12
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CCCOP(=O)(O)O

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SMILES CANONICAL

CACTVS 3.341O[P](O)(=O)OCCCc1c[nH]c2ccccc12
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CCCOP(=O)(O)O

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InChI

InChI 1.03InChI=1S/C11H14NO4P/c13-17(14,15)16-7-3-4-9-8-12-11-6-2-1-5-10(9)11/h1-2,5-6,8,12H,3-4,7H2,(H2,13,14,15)

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InChIKey

InChI 1.03NKEZSFZOUIIZFL-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.043-(1H-indol-3-yl)propyl dihydrogen phosphate
OpenEye OEToolkits 1.5.03-(1H-indol-3-yl)propyl dihydrogen phosphate

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PDB entries

Showing all 5 items

PDB-1beu:
TRP SYNTHASE (D60N-IPP-SER) WITH K+

PDB-1kfc:
CRYSTAL STRUCTURE OF ALPHAT183V MUTANT OF TRYPTOPHAN SYNTHASE FROM SALMONELLA TYPHIMURIUM With Indole Propanol Phosphate

PDB-1qop:
CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH INDOLE PROPANOL PHOSPHATE

PDB-1wxj:
Crystal Structure Of Tryptophan Synthase A-Subunit with Indole-3-propanol phosphate From Thermus Thermophilus Hb8

PDB-2trs:
CRYSTAL STRUCTURES OF MUTANT (BETAK87T) TRYPTOPHAN SYNTHASE ALPHA2 BETA2 COMPLEX WITH LIGANDS BOUND TO THE ACTIVE SITES OF THE ALPHA AND BETA SUBUNITS REVEAL LIGAND-INDUCED CONFORMATIONAL CHANGES

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