NG1

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

Created:	2005-06-27
Last modified:	2020-07-17

Find Related PDB Entry
2 entries where NG1 is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	5
Bond Count	35
Aromatic Bond Count	0

2D diagram of NG1

Toggle Hydrogen Toggle Labels

Chemical Component Summary
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 Name (OpenEye OEToolkits)	[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
Formula	C₈ H₁₆ N O₉ P
Molecular Weight	301.188
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
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
InChI	InChI	1.03	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
InChIKey	InChI	1.03	FZLJPEPAYPUMMR-JAJWTYFOSA-N

Related Resource References

Resource Name	Reference
PubChem	4369589
ChEBI	CHEBI:44313

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.