(2R)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate (Q27459143)

(2R)-3-{[(R)-Hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-1,2-propanediyl dibutanoate (English)

19 October 2016

chemical formula

C₁₇H₃₂O₁₆P₂

1 reference

stated in

RCSB protein data bank

PDB ligand ID

DB4

16 February 2021

canonical SMILES

CCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)OP(=O)(O)O)O)O)OC(=O)CCC

1 reference

(2R)-3-{[(R)-Hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-1,2-propanediyl dibutanoate (English)

19 October 2016

isomeric SMILES

CCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCC

1 reference

stated in

RCSB protein data bank

PDB ligand ID

DB4

InChI=1S/C17H32O16P2/c1-3-5-10(18)29-7-9(31-11(19)6-4-2)8-30-35(27,28)33-17-14(22)12(20)16(13(21)15(17)23)32-34(24,25)26/h9,12-17,20-23H,3-8H2,1-2H3,(H,27,28)(H2,24,25,26)/t9-,12-,13+,14-,15-,16+,17+/m1/s1

16 February 2021

Identifiers

InChI

1 reference

(2R)-3-{[(R)-Hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-1,2-propanediyl dibutanoate (English)

GZEWZLHSHLUSGP-HDIZFQRBSA-N

19 October 2016

InChIKey

1 reference

(2R)-3-{[(R)-Hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-1,2-propanediyl dibutanoate (English)

19 October 2016

1 reference

(2R)-3-{[(R)-Hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-1,2-propanediyl dibutanoate (English)

19 October 2016

0 references

1 reference

4MXP (English)