Chebi:193069

Structural Information

Molecular Formula

C₅₆H₉₀N₂O₅₁P₂

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)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/C56H90N2O51P2/c59-5-1-27(72)57-31-46(99-29(74)2-6-60)34(77)25(97-50(31)109-111(90,91)92)15-95-49-32(58-28(73)3-7-93-17-65)47(100-30(75)4-8-94-18-66)45(108-110(87,88)89)26(98-49)16-96-55(53(83)84)10-24(105-56(54(85)86)9-19(67)33(76)42(106-56)22(70)13-63)44(43(107-55)23(71)14-64)103-52-39(82)48(38(81)41(102-52)21(69)12-62)104-51-37(80)35(78)36(79)40(101-51)20(68)11-61/h17-26,31-52,59-64,67-71,76-82H,1-16H2,(H,57,72)(H,58,73)(H,83,84)(H,85,86)(H2,87,88,89)(H2,90,91,92)/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

XFTKNKLMHORZJG-IJPPMKBPSA-N

Compound name

(2R,4R,5R,6R)-2-[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,3S,4S,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-3,5-dihydroxyoxan-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 165368646