Chemical Components in the PDB

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NG1 : Summary

Code

NG1

One-letter code

X

Molecule name

2-acetamido-2-deoxy-1-O-phosphono-alpha-D-galactopyranose

Synonyms

N-ACETYL-ALPHA-D-GALACTOSAMINE 1-PHOSPHATE
N-acetyl-1-O-phosphono-alpha-D-galactosamine
2-acetamido-2-deoxy-1-O-phosphono-alpha-D-galactose
2-acetamido-2-deoxy-1-O-phosphono-D-galactose
2-acetamido-2-deoxy-1-O-phosphono-galactose

Systematic names

ProgramVersionName
ACDLabs 10.04 2-(acetylamino)-2-deoxy-1-O-phosphono-alpha-D-galactopyranose
OpenEye OEToolkits 1.5.0 [(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate

Formula

C8 H16 N O9 P

Formal charge

0

Molecular weight

301.188 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(OC1OC(C(O)C(O)C1NC(=O)C)CO)(O)O
SMILES CACTVS 3.341 CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P](O)(O)=O
SMILES OpenEye OEToolkits 1.5.0 CC(=O)NC1C(C(C(OC1OP(=O)(O)O)CO)O)O
Canonical SMILES CACTVS 3.341 CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)O

IUPAC InChI

InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6+,7-,8-/m1/s1

IUPAC InChI key

FZLJPEPAYPUMMR-JAJWTYFOSA-N
NG1

wwPDB Information

Atom count

35 (19 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

Yes

Standard parent

A2G

Defined at

2005-06-27

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned