Chemical Components in the PDB

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Z9M : Summary

Code

Z9M

One-letter code

X

Molecule name

2-amino-2-deoxy-4-O-phosphono-beta-D-glucopyranose

Synonyms

4-O-phosphono-beta-D-glucosamine
2-amino-2-deoxy-4-O-phosphono-beta-D-glucose
2-amino-2-deoxy-4-O-phosphono-D-glucose
2-amino-2-deoxy-4-O-phosphono-glucose

Systematic names

ProgramVersionName
ACDLabs 12.01 2-amino-2-deoxy-4-O-phosphono-beta-D-glucopyranose
OpenEye OEToolkits 1.7.6 [(2R,3S,4R,5R,6R)-5-azanyl-2-(hydroxymethyl)-4,6-bis(oxidanyl)oxan-3-yl] dihydrogen phosphate

Formula

C6 H14 N O8 P

Formal charge

0

Molecular weight

259.151 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=P(O)(O)OC1C(OC(O)C(N)C1O)CO
SMILES CACTVS 3.385 N[CH]1[CH](O)O[CH](CO)[CH](O[P](O)(O)=O)[CH]1O
SMILES OpenEye OEToolkits 1.7.6 C(C1C(C(C(C(O1)O)N)O)OP(=O)(O)O)O
Canonical SMILES CACTVS 3.385 N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[P](O)(O)=O)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 1.7.6 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)OP(=O)(O)O)O

IUPAC InChI

InChI=1S/C6H14NO8P/c7-3-4(9)5(15-16(11,12)13)2(1-8)14-6(3)10/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1

IUPAC InChI key

QWDBGVNDGYUIAC-QZABAPFNSA-N
Z9M

wwPDB Information

Atom count

30 (16 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, beta linking

Type code

ATOMS

Is modified

Yes

Standard parent

GCS

Defined at

2012-12-18

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned