Chebi:193070

Structural Information

Molecular Formula

C₅₆H₉₁N₂O₅₄P₃

SMILES

C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O[C@@H]2C[C@@](O[C@@H]([C@@H]2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)[C@H](CO)O)OP(=O)(O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)[C@H](CO)O)O)O)O)O)[C@@H](CO)O)(C(=O)O)OC[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)OC[C@@H]6[C@H]([C@@H]([C@H]([C@H](O6)OP(=O)(O)O)NC(=O)CCO)OC(=O)CCO)O)NC(=O)CCOC=O)OC(=O)CCOC=O)OP(=O)(O)O)[C@@H](CO)O)O)O

InChI

InChI=1S/C56H91N2O54P3/c59-5-1-27(72)57-31-45(101-29(74)2-6-60)34(77)25(99-50(31)112-115(92,93)94)15-97-49-32(58-28(73)3-7-95-17-65)46(102-30(75)4-8-96-18-66)44(110-113(86,87)88)26(100-49)16-98-55(53(82)83)10-24(107-56(54(84)85)9-19(67)33(76)40(108-56)21(69)12-62)43(42(109-55)23(71)14-64)105-52-38(81)47(48(111-114(89,90)91)41(104-52)22(70)13-63)106-51-37(80)35(78)36(79)39(103-51)20(68)11-61/h17-26,31-52,59-64,67-71,76-81H,1-16H2,(H,57,72)(H,58,73)(H,82,83)(H,84,85)(H2,86,87,88)(H2,89,90,91)(H2,92,93,94)/t19-,20+,21-,22+,23-,24-,25-,26-,31-,32-,33-,34-,35+,36+,37+,38+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,55-,56-/m1/s1

InChIKey

XITZENUOBJRFQX-OGYGNRGHSA-N

Compound name

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

Related CIDs

• CID 165368648