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- ChemComp-7P8: (1~{S},2~{R},4~{S},5~{R})-2,4-bis(methylamino)-6-[(2~{S},3~{R},4~... -

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Basic information

EntryDatabase: PDB chemical components / ID: 7P8
NameName: (1~{S},2~{R},4~{S},5~{R})-2,4-bis(methylamino)-6-[(2~{S},3~{R},4~{S},6~{R})-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-cyclohexane-1,3,5-triol

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Chemical information

Composition
Formula: C14H28N2O7 / Number of atoms: 51 / Formula weight: 336.381 / Formal charge: 0
Others

7wzv

Type: non-polymer / PDB classification: HETAIN / Three letter code: 7P8 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7WZV
History
Create componentFeb 22, 2022
Initial releaseDec 28, 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 3.385CN[CH]1[CH](O)[CH](NC)[CH](O)[CH](O[CH]2O[CH](C)C[CH](O)[CH]2O)[CH]1O
OpenEye OEToolkits 2.0.7CC1CC(C(C(O1)OC2C(C(C(C(C2O)NC)O)NC)O)O)O

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SMILES CANONICAL

CACTVS 3.385CN[C@H]1[C@@H](O)[C@@H](NC)[C@H](O)[C@@H](O[C@@H]2O[C@H](C)C[C@H](O)[C@H]2O)[C@@H]1O
OpenEye OEToolkits 2.0.7C[C@@H]1C[C@@H]([C@H]([C@@H](O1)OC2[C@@H]([C@H](C([C@H]([C@@H]2O)NC)O)NC)O)O)O

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InChI

InChI 1.03InChI=1S/C14H28N2O7/c1-5-4-6(17)9(18)14(22-5)23-13-11(20)7(15-2)10(19)8(16-3)12(13)21/h5-21H,4H2,1-3H3/t5-,6+,7-,8+,9-,10+,11+,12-,13-,14+/m1/s1

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InChIKey

InChI 1.03CXLUHLODGLESQP-SLGICJDNSA-N

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PDB entries

Showing all 1 items

PDB-7wzv:
The structure of a Twitch Radical SAM Dehydrogenase SpeY

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