Chebi:193024

Structural Information

Molecular Formula

C₅₆H₉₀N₂O₅₁P₂

SMILES

C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)OC[C@H]([C@@H]2[C@@H]([C@@H](C[C@@](O2)(C(=O)O)O[C@@H]3C[C@@](O[C@@H]([C@@H]3O)[C@@H](CO)O)(C(=O)O)OC[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)OC[C@@H]5[C@H]([C@@H]([C@H]([C@H](O5)OP(=O)(O)O)NC(=O)CCO)OC(=O)CCO)O)NC(=O)CCO)OC(=O)CCO)OP(=O)(O)O)O[C@@]6(C[C@H]([C@H]([C@H](O6)[C@@H](CO)O)O)O)C(=O)O)O)O)[C@@H](CO)O)O)O

InChI

InChI=1S/C56H90N2O51P2/c59-5-1-29(72)57-33-45(100-31(74)3-7-61)39(80)27(98-48(33)109-111(92,93)94)17-95-47-34(58-30(73)2-6-60)46(101-32(75)4-8-62)44(108-110(89,90)91)28(99-47)18-97-54(50(83)84)11-25(37(78)42(105-54)23(70)15-65)103-56(52(87)88)12-26(102-55(51(85)86)10-20(67)36(77)41(106-55)22(69)14-64)38(79)43(107-56)24(71)16-96-53(49(81)82)9-19(66)35(76)40(104-53)21(68)13-63/h19-28,33-48,59-71,76-80H,1-18H2,(H,57,72)(H,58,73)(H,81,82)(H,83,84)(H,85,86)(H,87,88)(H2,89,90,91)(H2,92,93,94)/t19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,53-,54-,55-,56-/m1/s1

InChIKey

OYUXDQYSQGSWDP-NMBZJDOYSA-N

Compound name

(2R,4R,5R,6R)-2-[(2R)-2-[(2R,3R,4R,6R)-6-carboxy-4-[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-5-hydroxy-2-[[(2R,3S,4R,5R,6R)-6-[[(2R,3S,4R,5R,6R)-3-hydroxy-5-(3-hydroxypropanoylamino)-4-(3-hydroxypropanoyloxy)-6-phosphonooxyoxan-2-yl]methoxy]-5-(3-hydroxypropanoylamino)-4-(3-hydroxypropanoyloxy)-3-phosphonooxyoxan-2-yl]methoxy]oxan-4-yl]oxy-3-hydroxyoxan-2-yl]-2-hydroxyethoxy]-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid

Related CIDs

• CID 165368661