(2s,4s,5r,6r)-5-acetamido-2-[(2r,3r,4s,5s,6r)-2-[(2s,3r,4r,5r,6r)-3-acetamido-2-[(2r,3s,4r,5r,6s)-4-[(2s,4s,5r,6r)-5-acetamido-2-carboxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-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-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1s,2r)-2-[(2s,4s,5r,6r)-5-acetamido-2-carboxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxyoxane-2-carboxylic acid

Structural Information

Molecular Formula

C₇₈H₁₃₁N₅O₄₇

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

InChI

InChI=1S/C78H131N5O47/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-37(96)36(79-31-91)30-117-70-58(108)57(107)61(46(28-89)120-70)122-72-60(110)68(130-78(75(115)116)22-39(98)49(81-33(3)93)65(127-78)53(103)42(101)24-85)62(47(29-90)121-72)123-69-51(83-35(5)95)63(54(104)43(25-86)118-69)124-71-59(109)67(55(105)44(26-87)119-71)129-77(74(113)114)21-40(99)50(82-34(4)94)66(128-77)56(106)45(27-88)125-76(73(111)112)20-38(97)48(80-32(2)92)64(126-76)52(102)41(100)23-84/h18-19,31,36-72,84-90,96-110H,6-17,20-30H2,1-5H3,(H,79,91)(H,80,92)(H,81,93)(H,82,94)(H,83,95)(H,111,112)(H,113,114)(H,115,116)/b19-18+/t36-,37+,38-,39-,40-,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54-,55-,56+,57+,58+,59+,60+,61+,62-,63+,64+,65+,66+,67-,68+,69-,70+,71-,72-,76+,77-,78-/m0/s1

InChIKey

XKUWRFPNNLVTLQ-CVWVMBMKSA-N

Compound name

(2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-2-[(2R,3S,4R,5R,6S)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-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-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-2-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxyoxane-2-carboxylic acid

Related CIDs

• CID 45259173