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RFW : Summary
Code ![](/pdbe/static/images/help.png)
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RFW
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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-acetyl-D-glucosamine-6-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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C8 H14 N O9 P
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Formal charge ![](/pdbe/static/images/help.png)
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-2
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Molecular weight ![](/pdbe/static/images/help.png)
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299.172 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 |
12.01 |
[O-]P([O-])(=O)OCC(O)C(O)C(O)C(C=O)NC(=O)C |
SMILES
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CACTVS |
3.385 |
CC(=O)N[CH](C=O)[CH](O)[CH](O)[CH](O)CO[P]([O-])([O-])=O |
SMILES
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OpenEye OEToolkits |
1.7.6 |
CC(=O)NC(C=O)C(C(C(COP(=O)([O-])[O-])O)O)O |
Canonical SMILES
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CACTVS |
3.385 |
CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO[P]([O-])([O-])=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
CC(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C8H16NO9P/c1-4(11)9-5(2-10)7(13)8(14)6(12)3-18-19(15,16)17/h2,5-8,12-14H,3H2,1H3,(H,9,11)(H2,15,16,17)/p-2/t5-,6+,7+,8+/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | QDSLHWJDSQGPEE-LXGUWJNJSA-L |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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33 (19 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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2014-07-23
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Last modified at ![](/pdbe/static/images/help.png)
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2014-10-10
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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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