Chebi:142160

Structural Information

Molecular Formula

C₄₅H₈₀N₂O₂₆S

SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)OS(=O)(=O)O)O)NC(=O)C)O)O)O)O)NC=O)O

InChI

InChI=1S/C45H80N2O26S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(54)24(46-22-52)21-65-43-35(59)33(57)39(28(19-50)68-43)71-44-36(60)34(58)38(29(20-51)69-44)70-42-30(47-23(2)53)40(31(55)26(17-48)66-42)72-45-37(61)41(73-74(62,63)64)32(56)27(18-49)67-45/h15-16,22,24-45,48-51,54-61H,3-14,17-21H2,1-2H3,(H,46,52)(H,47,53)(H,62,63,64)/b16-15+/t24-,25+,26+,27+,28+,29+,30+,31-,32-,33+,34+,35+,36+,37+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1

InChIKey

IVENBHZMPRNQAK-VLTYIOLKSA-N

Compound name

[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-2-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-6-[(E,2S,3R)-2-formamido-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate

Related CIDs

• CID 172429273