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- ChemComp-5I0: [(2~{S},3~{S},4~{S},5~{R},6~{S})-2-[(2~{R},3~{R},4~{R},5~{S})-2-[... -

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Basic information

EntryDatabase: PDB chemical components / ID: 5I0
NameName: [(2~{S},3~{S},4~{S},5~{R},6~{S})-2-[(2~{R},3~{R},4~{R},5~{S})-2-[(1~{R},2~{S},3~{R},4~{R},5~{S},6~{R})-2,4-bis[[azaniumylidene(azanyl)methyl]amino]-3,5,6-tris(oxidanyl)cyclohexyl]oxy-4- ...Name: [(2~{S},3~{S},4~{S},5~{R},6~{S})-2-[(2~{R},3~{R},4~{R},5~{S})-2-[(1~{R},2~{S},3~{R},4~{R},5~{S},6~{R})-2,4-bis[[azaniumylidene(azanyl)methyl]amino]-3,5,6-tris(oxidanyl)cyclohexyl]oxy-4-[bis(oxidanyl)methyl]-5-methyl-4-oxidanyl-oxolan-3-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]-methyl-azanium
Synonyms: hydrated form of streptomycin

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Chemical information

Composition
Formula: C21H44N7O13 / Number of atoms: 85 / Formula weight: 602.613 / Formal charge: 3
Others

7p2e

Type: non-polymer / PDB classification: HETAIN / Three letter code: 5I0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7P2E
History
Create componentJul 9, 2021
Initial releaseJul 27, 2022
Modify synonymsNov 23, 2022
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 3.385C[NH2+][CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH]2[CH](O[CH](C)[C]2(O)C(O)O)O[CH]3[CH](O)[CH](O)[CH](NC(N)=[NH2+])[CH](O)[CH]3NC(N)=[NH2+]
OpenEye OEToolkits 2.0.7CC1C(C(C(O1)OC2C(C(C(C(C2O)O)NC(=[NH2+])N)O)NC(=[NH2+])N)OC3C(C(C(C(O3)CO)O)O)[NH2+]C)(C(O)O)O

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SMILES CANONICAL

CACTVS 3.385C[NH2+][C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]2[C@@H](O[C@@H](C)[C@]2(O)C(O)O)O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(N)=[NH2+])[C@@H](O)[C@@H]3NC(N)=[NH2+]
OpenEye OEToolkits 2.0.7C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)NC(=[NH2+])N)O)NC(=[NH2+])N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)[NH2+]C)(C(O)O)O

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InChI

InChI 1.03InChI=1S/C21H41N7O13/c1-4-21(37,18(35)36)15(41-16-8(26-2)12(33)9(30)5(3-29)39-16)17(38-4)40-14-7(28-20(24)25)10(31)6(27-19(22)23)11(32)13(14)34/h4-18,26,29-37H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/p+3/t4-,5-,6+,7-,8-,9-,10+,11-,12-,13+,14+,15-,16-,17-,21+/m0/s1

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InChIKey

InChI 1.03ATLHDHNZEMANQF-UQHZJGBMSA-Q

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PDB entries

Showing all 4 items

PDB-7p2e:
Human mitochondrial ribosome small subunit in complex with IF3, GMPPMP and streptomycin

PDB-8cai:
Streptomycin and Hygromycin B bound to the 30S body

PDB-8cgj:
Streptomycin bound to the 30S body

PDB-8vxb:
Structure of ANT(6)-Ib from Campylobacter fetus subsp fetus complexed with hydrated streptomycin

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