Chemical Components in the PDB

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RFW : Summary

Code

RFW

One-letter code

X

Molecule name

N-acetyl-D-glucosamine-6-phosphate

Systematic names

ProgramVersionName
ACDLabs 12.01 2-(acetylamino)-2-deoxy-6-O-phosphonato-D-glucose
OpenEye OEToolkits 1.7.6 [(2R,3S,4R,5R)-5-acetamido-2,3,4-tris(oxidanyl)-6-oxidanylidene-hexyl] phosphate

Formula

C8 H14 N O9 P

Formal charge

-2

Molecular weight

299.172 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 [O-]P([O-])(=O)OCC(O)C(O)C(O)C(C=O)NC(=O)C
SMILES CACTVS 3.385 CC(=O)N[CH](C=O)[CH](O)[CH](O)[CH](O)CO[P]([O-])([O-])=O
SMILES OpenEye OEToolkits 1.7.6 CC(=O)NC(C=O)C(C(C(COP(=O)([O-])[O-])O)O)O
Canonical SMILES 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 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

IUPAC InChI

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

QDSLHWJDSQGPEE-LXGUWJNJSA-L
RFW

wwPDB Information

Atom count

33 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-07-23

Last modified at

2014-10-10

Status

Released

Obsoleted

Not Assigned