(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-(tetradecanoylamino)octadec-4-enoxy]oxan-3-yl]oxy-5-[(2s,3r,4r,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxyoxane-2-carboxylic acid

Structural Information

Molecular Formula

C₈₆H₁₄₈N₄O₄₂

SMILES

CCCCCCCCCCCCCC=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)CC(=O)C)O[C@@]4(C[C@@H]([C@H](C(O4)[C@@H]([C@@H](CO)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)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)NC(=O)CCCCCCCCCCCCC)O

InChI

InChI=1S/C86H148N4O42/c1-7-9-11-13-15-17-19-20-22-23-25-27-29-31-50(101)49(90-60(106)32-30-28-26-24-21-18-16-14-12-10-8-2)43-121-79-70(113)69(112)72(58(41-95)123-79)125-80-71(114)77(73(59(42-96)124-80)126-78-48(33-44(3)97)64(107)66(109)55(38-92)122-78)132-86(83(119)120)36-53(104)63(89-47(6)100)76(131-86)68(111)57(40-94)128-85(82(117)118)35-52(103)62(88-46(5)99)75(130-85)67(110)56(39-93)127-84(81(115)116)34-51(102)61(87-45(4)98)74(129-84)65(108)54(105)37-91/h29,31,48-59,61-80,91-96,101-105,107-114H,7-28,30,32-43H2,1-6H3,(H,87,98)(H,88,99)(H,89,100)(H,90,106)(H,115,116)(H,117,118)(H,119,120)/t48-,49+,50-,51+,52+,53+,54-,55-,56-,57-,58-,59-,61-,62-,63-,64-,65-,66+,67-,68-,69-,70-,71-,72-,73+,74?,75?,76?,77-,78+,79-,80+,84-,85-,86+/m1/s1

InChIKey

CXIPYVKKEZGSTG-NEHGNHFSSA-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-(tetradecanoylamino)octadec-4-enoxy]oxan-3-yl]oxy-5-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxyoxane-2-carboxylic acid

Related CIDs

• CID 162808971