BIRD-PRD_900057: sucrose-6-phosphate

Basic information

• Entry: Database: Biologically Interesting Molecule Reference Dictionary (BIRD) / ID: PRD_900057
• Status: Status: REF ONLY
• Name: sucrose-6-phosphate

BIRD information

• Type: Oligosaccharide / Substrate analog

Details

• oligosaccharide with reducing-end-to-reducing-end glycosidic bond

• Downloads: Molecular definition / Chemical definition

Chemical information

Composition

Formula: C₁₂H₂₃O₁₄P / Formula weight: 422.276

• Others: Type: saccharide

History

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

Details

SMILES

• ACDLabs 10.04: O=P(O)(O)OCC2OC(OC1OC(CO)C(O)C(O)C1O)(C(O)C2O)CO
• CACTVS 3.341: OC[CH]1O[CH](O[C]2(CO)O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O
• OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)OC2(C(C(C(O2)COP(=O)(O)O)O)O)CO)O)O)O)O

SMILES CANONICAL

• CACTVS 3.341: OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]2O)[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)O[C@]2([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)CO)O)O)O)O

InChI

• InChI 1.03: InChI=1S/C12H23O14P/c13-1-4-6(15)8(17)9(18)11(24-4)26-12(3-14)10(19)7(16)5(25-12)2-23-27(20,21)22/h4-11,13-19H,1-3H2,(H 2,20,21,22)/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1

InChIKey

• InChI 1.03: PJTTXANTBQDXME-UGDNZRGBSA-N

SYSTEMATIC NAME

• ACDLabs 10.04: 6-O-phosphono-beta-D-fructofuranosyl alpha-D-glucopyranoside
• OpenEye OEToolkits 1.5.0: [(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxol an-2-yl]methyl dihydrogen phosphate

PDB entries

Showing all 3 items

PDB-1u2t:
X-Ray structure of the sucrose-phosphatase (SPP) from Synechocystis sp. PCC6803 in complex with sucrose6P

PDB-2r68:
Complex Structure of Sucrose Phosphate Synthase (SPS)-S6P of Halothermothrix orenii

PDB-6kih:
Sucrose-phosphate synthase (tll1590) from Thermosynechococcus elongatus