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G6N : Summary
Code ![](/pdbe/static/images/help.png)
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G6N
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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[(2~{S},3~{S},4~{R})-4-[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2,3-bis(oxidanyl)-5-[oxidanyl-[(2~{R})-2-oxidanylpropoxy]phosphoryl]oxy-pentyl] [(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C23 H47 N O24 P2
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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783.559 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH](CO[P](O)(=O)OC[CH](O)C(O)C(O)CO)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CC(=O)NC1C(C(C(OC1OC(COP(=O)(O)OCC(C(C(CO)O)O)O)C(C(COP(=O)(O)OCC(C(C(CO)O)O)O)O)O)CO)O)O |
Canonical SMILES
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CACTVS |
3.385 |
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H](CO[P](O)(=O)OC[C@H](O)C(O)C(O)CO)[C@@H](O)[C@@H](O)CO[P](O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)CO |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@H](COP(=O)(O)OC[C@@H]([C@H]([C@H](CO)O)O)O)[C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](CO)O)O)O)O)O)CO)O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C23H47NO24P2/c1-9(28)24-17-22(38)21(37)15(4-27)47-23(17)48-16(8-46-50(41,42)44-6-13(32)19(35)11(30)3-26)20(36)14(33)7-45-49(39,40)43-5-12(31)18(34)10(29)2-25/h10-23,25-27,29-38H,2-8H2,1H3,(H,24,28)(H,39,40)(H,41,42)/t10-,11?,12+,13-,14-,15+,16+,17+,18-,19?,20-,21+,22+,23+/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | CTFVIOIQZHDZBZ-PFSLZBRHSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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97 (50 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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non-polymer
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2022-01-27
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Last modified at ![](/pdbe/static/images/help.png)
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2022-08-26
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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