ChemComp-GL1: 1-O-phosphono-alpha-D-galactopyranose

Basic information

• Entry: Database: PDB chemical components / ID: GL1
• Name: Name: 1-O-phosphono-alpha-D-galactopyranose; Synonyms: ALPHA-D-GALACTOSE-1-PHOSPHATE; 1-O-phosphono-alpha-D-galactose; 1-O-phosphono-D-galactose; 1-O-phosphono-galactose

Chemical information

Composition

Formula: C₆H₁₃O₉P / Number of atoms: 29 / Formula weight: 260.136 / Formal charge: 0

Others

1z4o

GLA

Type: D-saccharide / PDB classification: ATOMS / Three letter code: GL1 / Model coordinates PDB-ID: 1Z4O / Parent comp.: GLA

History

Create component	Apr 14, 2005
Modify descriptor	Jun 4, 2011
Other modification	Jul 3, 2020
Modify parent residue	Jul 17, 2020
Modify synonyms	Jul 17, 2020
Modify internal type	Jul 17, 2020
Modify linking type	Jul 17, 2020
Modify leaving atom flag	Jul 17, 2020

• External links: UniChem / ChemSpider / Wikipedia search / Google search

Details

SMILES

• ACDLabs 10.04: O=P(OC1OC(C(O)C(O)C1O)CO)(O)O
• CACTVS 3.341: OC[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
• OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O

SMILES CANONICAL

• CACTVS 3.341: OC[C@H]1O[C@H](O[P](O)(O)=O)[C@H](O)[C@@H](O)[C@H]1O
• OpenEye OEToolkits 1.5.0: C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O

InChI

• InChI 1.03: InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5-,6-/m1/s1

InChIKey

• InChI 1.03: HXXFSFRBOHSIMQ-FPRJBGLDSA-N

SYSTEMATIC NAME

• ACDLabs 10.04: 1-O-phosphono-alpha-D-galactopyranose
• OpenEye OEToolkits 1.5.0: [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate

IUPAC CARBOHYDRATE SYMBOL

• PDB-CARE 1.0: a-D-Galp1PO3

PDB entries

Showing all 2 items

PDB-1z4n:
Structure of beta-phosphoglucomutase with inhibitor bound alpha-galactose 1-phosphate cocrystallized with Fluoride

PDB-1z4o:
Structure of beta-phosphoglucomutase with inhibitor bound alpha-galactose 1-phosphate