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MG8 : Summary
Code ![](/pdbe/static/images/help.png)
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MG8
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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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N-OCTANOYL-N-METHYLGLUCAMINE
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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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C15 H31 N O6
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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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321.41 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(N(C)CC(O)C(O)C(O)C(O)CO)CCCCCCC |
SMILES
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CACTVS |
3.341 |
CCCCCCCC(=O)N(C)CC(O)C(O)C(O)C(O)CO |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CCCCCCCC(=O)N(C)CC(C(C(C(CO)O)O)O)O |
Canonical SMILES
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CACTVS |
3.341 |
CCCCCCCC(=O)N(C)CC(O)C(O)C(O)C(O)CO |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CCCCCCCC(=O)N(C)C[C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C15H31NO6/c1-3-4-5-6-7-8-13(20)16(2)9-11(18)14(21)15(22)12(19)10-17/h11-12,14-15,17-19,21-22H,3-10H2,1-2H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | SBWGZAXBCCNRTM-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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53 (22 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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2003-08-26
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Last modified at ![](/pdbe/static/images/help.png)
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2020-05-27
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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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