Chebi:231428

Structural Information

Molecular Formula

C₅₃H₉₃N₃O₂₈

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[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)NC(=O)C)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)NC(=O)C)O)O)O)O)NC=O)O

InChI

InChI=1S/C53H93N3O28/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(64)27(54-24-61)22-75-51-44(73)41(70)47(31(20-59)79-51)83-53-45(74)42(71)46(32(21-60)80-53)82-50-35(56-26(3)63)48(84-52-43(72)40(69)37(66)30(19-58)78-52)38(67)33(81-50)23-76-49-34(55-25(2)62)39(68)36(65)29(18-57)77-49/h16-17,24,27-53,57-60,64-74H,4-15,18-23H2,1-3H3,(H,54,61)(H,55,62)(H,56,63)/b17-16+/t27-,28+,29+,30+,31+,32+,33+,34+,35+,36+,37-,38-,39+,40-,41+,42+,43+,44+,45+,46-,47+,48+,49+,50-,51+,52-,53-/m0/s1

InChIKey

WBYODZBMBGBMMG-HTKXCAHFSA-N

Compound name

N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R,6S)-5-acetamido-6-[(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-3-hydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Related CIDs

• CID 171392403