Chebi:176431

Structural Information

Molecular Formula

C₄₂H₆₆N₂O₃₉P₂

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)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/C42H66N2O39P2/c45-5-1-23(54)43-27-35(77-25(56)2-6-46)31(60)21(75-38(27)83-85(68,69)70)13-73-37-28(44-24(55)3-7-71-15-49)36(78-26(57)4-8-72-16-50)34(82-84(65,66)67)22(76-37)14-74-41(39(61)62)10-20(30(59)33(80-41)19(53)12-48)79-42(40(63)64)9-17(51)29(58)32(81-42)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)(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

JNBOEAORPICAMN-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-5-(3-hydroxypropanoylamino)-4-(3-hydroxypropanoyloxy)-6-phosphonooxyoxan-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 165415488