Chebi:230458

Structural Information

Molecular Formula

C₅₅H₉₃N₃O₃₀

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)O[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)OC(=O)C)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)C(=O)O)O)O)O)NC=O)O

InChI

InChI=1S/C55H93N3O30/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31(67)30(56-26-63)25-80-50-44(74)43(73)46(37(24-62)83-50)84-51-45(75)49(41(71)35(22-60)82-51)88-55(53(78)79)20-33(69)39(58-28(3)65)48(87-55)42(72)36(23-61)85-54(52(76)77)19-32(68)38(57-27(2)64)47(86-54)40(70)34(21-59)81-29(4)66/h17-18,26,30-51,59-62,67-75H,5-16,19-25H2,1-4H3,(H,56,63)(H,57,64)(H,58,65)(H,76,77)(H,78,79)/b18-17+/t30-,31+,32-,33-,34+,35+,36+,37+,38+,39+,40+,41-,42+,43+,44+,45+,46+,47+,48+,49-,50+,51-,54+,55-/m0/s1

InChIKey

SEUAIWCTQVBXGP-KTXMFGOZSA-N

Compound name

(2S,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2-[(2S,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2-acetyloxy-1,3-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-1,3-dihydroxypropyl]-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(E,2S,3R)-2-formamido-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxyoxane-2-carboxylic acid

Related CIDs

• CID 171364931