Sucrose 6'-phosphate

Details

• Internal ID: 30e24ad8-b69b-49af-bb4a-b9fabbf784b4
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Disaccharides > Disaccharide phosphates
• IUPAC Name: [(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl dihydrogen phosphate
• SMILES (Canonical): C(C1C(C(C(C(O1)OC2(C(C(C(O2)COP(=O)(O)O)O)O)CO)O)O)O)O
• SMILES (Isomeric): 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=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,(H2,20,21,22)/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
• InChI Key: PJTTXANTBQDXME-UGDNZRGBSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₂₃O₁₄P
• Molecular Weight: 422.28 g/mol
• Exact Mass: 422.08254240 g/mol
• Topological Polar Surface Area (TPSA): 236.00 Ų
• XlogP: -5.30

Synonyms

• JA413JJ95H
• Sucrose 6F-phosphate
• sucrose 6(F)-phosphate
• UNII-JA413JJ95H
• 4549-10-4
• 6-O-phosphono-beta-D-fructofuranosyl alpha-D-glucopyranoside
• Sugar 1-phosphate
• SUCROSE-6-PHOSHPATE
• SCHEMBL134378
• CHEBI:16308
• sucrose 6'-phosphate (P on 5-ring)
• C02591
• Q27101841
• SUP

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.19%	91.11%
CHEMBL3230	O95977	Sphingosine 1-phosphate receptor Edg-6	94.16%	94.01%
CHEMBL3401	O75469	Pregnane X receptor	92.87%	94.73%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.23%	96.09%
CHEMBL218	P21554	Cannabinoid CB1 receptor	89.24%	96.61%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	88.13%	86.92%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	87.47%	97.29%
CHEMBL1075162	Q13304	Uracil nucleotide/cysteinyl leukotriene receptor	84.20%	80.33%
CHEMBL3137262	O60341	LSD1/CoREST complex	83.51%	97.09%
CHEMBL226	P30542	Adenosine A1 receptor	83.40%	95.93%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	80.38%	95.50%

Plants that contains it

• Solanum lycopersicum

Cross-Links

• PubChem: 439762
• LOTUS: LTS0100923
• wikiData: Q27101841