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- ChemComp-OI9: Streptothricin F -

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Basic information

EntryDatabase: PDB chemical components / ID: OI9
NameName: Streptothricin F

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Chemical information

Composition
Formula: C19H34N8O8 / Number of atoms: 69 / Formula weight: 502.522 / Formal charge: 0
Others

7uvx

Type: non-polymer / PDB classification: HETAIN / Three letter code: OI9 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7UVX
History
Create componentMay 3, 2022
Initial releaseApr 19, 2023
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / CompTox / Metabolights / NMRShiftDB / Nikkaji / 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

ACDLabs 12.01NCCCC(N)CC(=O)NC1C(O)C(OC(N)=O)C(CO)OC1NC=1NC2C(N=1)C(=O)NCC2O
CACTVS 3.385NCCC[CH](N)CC(=O)N[CH]1[CH](O)[CH](OC(N)=O)[CH](CO)O[CH]1NC2=N[CH]3[CH](N2)[CH](O)CNC3=O
OpenEye OEToolkits 2.0.7C1C(C2C(C(=O)N1)N=C(N2)NC3C(C(C(C(O3)CO)OC(=O)N)O)NC(=O)CC(CCCN)N)O

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SMILES CANONICAL

CACTVS 3.385NCCC[C@H](N)CC(=O)N[C@@H]1[C@H](O)[C@@H](OC(N)=O)[C@@H](CO)O[C@H]1NC2=N[C@H]3[C@H](N2)[C@H](O)CNC3=O
OpenEye OEToolkits 2.0.7C1[C@H]([C@@H]2[C@@H](C(=O)N1)N=C(N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)OC(=O)N)O)NC(=O)C[C@H](CCCN)N)O

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InChI

InChI 1.03InChI=1S/C19H34N8O8/c20-3-1-2-7(21)4-10(30)24-13-14(31)15(35-18(22)33)9(6-28)34-17(13)27-19-25-11-8(29)5-23-16(32)12(11)26-19/h7-9,11-15,17,28-29,31H,1-6,20-21H2,(H2,22,33)(H,23,32)(H,24,30)(H2,25,26,27)/t7-,8+,9+,11+,12-,13+,14-,15-,17+/m0/s1

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InChIKey

InChI 1.03NRAUADCLPJTGSF-VLSXYIQESA-N

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SYSTEMATIC NAME

ACDLabs 12.014-O-carbamoyl-2-deoxy-2-[(3S)-3,6-diaminohexanamido]-N-[(3aS,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl]-beta-D-gulopyranosylamine
OpenEye OEToolkits 2.0.7[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[[(3~{a}~{S},7~{R},7~{a}~{S})-7-oxidanyl-4-oxidanylidene-1,3~{a},5,6,7,7~{a}-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3~{S})-3,6-bis(azanyl)hexanoyl]amino]-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl] carbamate

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PDB entries

Showing all 4 items

PDB-7uvv:
A. baumannii ribosome-Streptothricin-F complex: 70S with P-site tRNA

PDB-7uvx:
A. baumannii 70S ribosome-Streptothricin-F complex

PDB-7xxp:
F316A-glycine-streptothricin F complex

PDB-7ypv:
Crystal structure of OrE-ST-F

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