Chebi:230468

Structural Information

Molecular Formula

C₆₃H₁₀₆N₄O₃₅

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)NC(=O)C)O[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O[C@@]5(C[C@@H]([C@H]([C@@H](O5)[C@@H]([C@@H](COC(=O)C)O)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/C63H106N4O35/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34(77)33(64-28-72)26-93-58-50(86)49(85)52(40(24-70)95-58)97-59-51(87)56(53(41(25-71)96-59)98-57-44(67-31(4)75)48(84)46(82)38(22-68)94-57)102-63(61(90)91)21-36(79)43(66-30(3)74)55(101-63)47(83)39(23-69)99-62(60(88)89)20-35(78)42(65-29(2)73)54(100-62)45(81)37(80)27-92-32(5)76/h18-19,28,33-59,68-71,77-87H,6-17,20-27H2,1-5H3,(H,64,72)(H,65,73)(H,66,74)(H,67,75)(H,88,89)(H,90,91)/b19-18+/t33-,34+,35-,36-,37+,38+,39+,40+,41+,42+,43+,44+,45+,46-,47+,48+,49+,50+,51+,52+,53-,54+,55+,56+,57-,58+,59-,62+,63-/m0/s1

InChIKey

WIYPUGFXAOQPDU-UJTFSVRUSA-N

Compound name

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

Related CIDs

• CID 171364923