Chebi:193150

Structural Information

Molecular Formula

C₄₂H₆₇N₂O₄₂P₃

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](CO)O)(C(=O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)OP(=O)(O)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/C42H67N2O42P3/c45-5-1-23(54)43-27-35(79-25(56)2-6-46)31(60)21(77-38(27)85-89(71,72)86-88(68,69)70)13-75-37-28(44-24(55)3-7-73-15-49)36(80-26(57)4-8-74-16-50)34(84-87(65,66)67)22(78-37)14-76-41(39(61)62)10-20(30(59)33(82-41)19(53)12-48)81-42(40(63)64)9-17(51)29(58)32(83-42)18(52)11-47/h15-22,27-38,45-48,51-53,58-60H,1-14H2,(H,43,54)(H,44,55)(H,61,62)(H,63,64)(H,71,72)(H2,65,66,67)(H2,68,69,70)/t17-,18-,19-,20-,21-,22-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,41-,42-/m1/s1

InChIKey

RWTJGKBPYOQUDZ-KWLHYESBSA-N

Compound name

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

Related CIDs

• CID 165368721