Chebi:142142

Structural Information

Molecular Formula

C₅₇H₁₀₀N₂O₃₂

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)O[C@@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O[C@H]6[C@H]([C@@H]([C@@H]([C@@H](O6)C)O)O)O)NC(=O)C)O)O)O)O)NC=O)O

InChI

InChI=1S/C57H100N2O32/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(67)27(58-24-65)23-80-53-45(78)41(74)48(32(21-63)85-53)88-56-46(79)42(75)47(33(22-64)86-56)87-52-34(59-26(3)66)49(37(70)30(19-61)82-52)89-57-51(91-54-43(76)39(72)35(68)25(2)81-54)50(38(71)31(20-62)84-57)90-55-44(77)40(73)36(69)29(18-60)83-55/h16-17,24-25,27-57,60-64,67-79H,4-15,18-23H2,1-3H3,(H,58,65)(H,59,66)/b17-16+/t25-,27-,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+,54-,55+,56-,57-/m0/s1

InChIKey

RTGNCMCFTPBBMW-QLFOOQECSA-N

Compound name

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

Related CIDs

• CID 172429269