Chebi:232166

Structural Information

Molecular Formula

C₇₄H₁₂₃N₅O₄₃

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](CO)O[C@@]6(C[C@@H]([C@H]([C@@H](O6)[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)NC(=O)C)O)C(=O)O)O)O)O)NC=O)O

InChI

InChI=1S/C74H123N5O43/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-38(91)37(75-31-85)29-111-67-58(102)57(101)60(46(27-83)113-67)115-68-59(103)65(61(47(28-84)114-68)116-66-51(79-35(5)89)56(100)53(97)43(24-80)112-66)122-74(71(108)109)23-41(94)50(78-34(4)88)64(121-74)55(99)45(26-82)118-73(70(106)107)22-40(93)49(77-33(3)87)63(120-73)54(98)44(25-81)117-72(69(104)105)21-39(92)48(76-32(2)86)62(119-72)52(96)42(95)30-110-36(6)90/h19-20,31,37-68,80-84,91-103H,7-18,21-30H2,1-6H3,(H,75,85)(H,76,86)(H,77,87)(H,78,88)(H,79,89)(H,104,105)(H,106,107)(H,108,109)/b20-19+/t37-,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-,72+,73+,74-/m0/s1

InChIKey

ZHVXZCUMUJWARA-HWLADHJASA-N

Compound name

(2S,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2-[(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-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 172407893