Chebi:193068

Structural Information

Molecular Formula

C₄₉H₇₈N₂O₄₅P₂

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)O)[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)CCOC=O)OC(=O)CCOC=O)OP(=O)(O)O)[C@@H](CO)O)O)O

InChI

InChI=1S/C49H78N2O45P2/c52-5-1-25(63)50-29-41(88-27(65)2-6-53)32(68)23(86-44(29)96-98(79,80)81)14-84-43-30(51-26(64)3-7-82-16-57)42(89-28(66)4-8-83-17-58)40(95-97(76,77)78)24(87-43)15-85-48(46(72)73)10-22(92-49(47(74)75)9-18(59)31(67)37(93-49)20(61)12-55)39(38(94-48)21(62)13-56)91-45-35(71)33(69)34(70)36(90-45)19(60)11-54/h16-24,29-45,52-56,59-62,67-71H,1-15H2,(H,50,63)(H,51,64)(H,72,73)(H,74,75)(H2,76,77,78)(H2,79,80,81)/t18-,19+,20-,21-,22-,23-,24-,29-,30-,31-,32-,33+,34+,35+,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,48-,49-/m1/s1

InChIKey

VGWJQMVWCDKTKM-VGSRDJBRSA-N

Compound name

(2R,4R,5R,6R)-2-[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-5-[(2R,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-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 165368694