Orb3144926

Structural Information

Molecular Formula

C₇₃H₁₃₁N₃O₃₂

SMILES

CCCCCCCCCCCCCCCCCC(=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)NC(=O)C)O[C@@]5(C[C@@H]([C@H]([C@@H](O5)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O)C(=O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

InChI

InChI=1S/C73H131N3O32/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-51(87)75-43(44(84)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)41-99-69-61(95)59(93)63(49(38-80)102-69)104-71-62(96)67(108-73(72(97)98)34-45(85)53(76-52(88)40-82)66(107-73)55(89)46(86)35-77)64(50(39-81)103-71)105-68-54(74-42(3)83)65(57(91)48(37-79)100-68)106-70-60(94)58(92)56(90)47(36-78)101-70/h30,32,43-50,53-71,77-82,84-86,89-96H,4-29,31,33-41H2,1-3H3,(H,74,83)(H,75,87)(H,76,88)(H,97,98)/b32-30+/t43-,44+,45-,46+,47+,48+,49+,50+,53+,54+,55+,56-,57-,58-,59+,60+,61+,62+,63+,64-,65+,66+,67+,68-,69+,70-,71-,73-/m0/s1

InChIKey

RENOIHAOPWZALJ-UWJSZWDNSA-N

Compound name

(2S,4S,5R,6R)-2-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(E,2S,3R)-3-hydroxy-2-(octadecanoylamino)octadec-4-enoxy]oxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Related CIDs

• CID 178203637