(2s,4s,5r)-5-acetamido-6-[(1s,2r)-2-[(2s,4s,5r)-5-acetamido-6-[(1s,2r)-2-[(2s,4s,5r)-5-acetamido-2-carboxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-1,3-dihydroxypropyl]-2-[(2s,3r,4r,5s,6r)-2-[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2s,3r)-3-hydroxy-2-(pentacosanoylamino)octadec-4-enoxy]oxan-3-yl]oxy-3-hydroxy-5-[(2s,3r,4r,5r,6r)-5-hydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxyoxane-2-carboxylic acid

Structural Information

Molecular Formula

C₁₀₃H₁₈₀N₄O₄₇

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[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)O)CC(=O)C)O[C@@]5(C[C@@H]([C@H](C(O5)[C@@H]([C@@H](CO)O[C@@]6(C[C@@H]([C@H](C(O6)[C@@H]([C@@H](CO)O[C@@]7(C[C@@H]([C@H](C(O7)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)C(=O)O)O)O)O)[C@@H](C=CCCCCCCCCCCCCC)O

InChI

InChI=1S/C103H180N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-73(124)107-61(62(119)42-40-38-36-34-32-30-20-18-16-14-12-10-8-2)55-141-95-85(133)83(131)88(71(53-113)144-95)147-97-86(134)93(89(72(54-114)145-97)148-94-60(44-56(3)115)87(79(127)68(50-110)142-94)146-96-84(132)82(130)78(126)67(49-109)143-96)154-103(100(139)140)47-65(122)76(106-59(6)118)92(153-103)81(129)70(52-112)150-102(99(137)138)46-64(121)75(105-58(5)117)91(152-102)80(128)69(51-111)149-101(98(135)136)45-63(120)74(104-57(4)116)90(151-101)77(125)66(123)48-108/h40,42,60-72,74-97,108-114,119-123,125-134H,7-39,41,43-55H2,1-6H3,(H,104,116)(H,105,117)(H,106,118)(H,107,124)(H,135,136)(H,137,138)(H,139,140)/t60-,61+,62-,63+,64+,65+,66-,67-,68-,69-,70-,71-,72-,74-,75-,76-,77-,78+,79+,80-,81-,82+,83-,84-,85-,86-,87-,88-,89+,90?,91?,92?,93-,94+,95-,96+,97+,101-,102-,103+/m1/s1

InChIKey

MVVASPSUGQOULR-YYDRNDETSA-N

Compound name

(2S,4S,5R)-5-acetamido-6-[(1S,2R)-2-[(2S,4S,5R)-5-acetamido-6-[(1S,2R)-2-[(2S,4S,5R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-1,3-dihydroxypropyl]-2-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2S,3R)-3-hydroxy-2-(pentacosanoylamino)octadec-4-enoxy]oxan-3-yl]oxy-3-hydroxy-5-[(2S,3R,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxyoxane-2-carboxylic acid

Related CIDs

• CID 162789281