Chebi:230527

Structural Information

Molecular Formula

C₆₆H₁₁₀N₄O₃₈

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)O[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)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)OC(=O)C)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/C66H110N4O38/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-35(81)34(67-29-76)28-98-59-52(90)51(89)54(43(27-75)101-59)102-60-53(91)58(48(86)40(24-72)100-60)108-66(63(96)97)22-38(84)46(70-32(4)79)57(107-66)50(88)42(26-74)104-65(62(94)95)21-37(83)45(69-31(3)78)56(106-65)49(87)41(25-73)103-64(61(92)93)20-36(82)44(68-30(2)77)55(105-64)47(85)39(23-71)99-33(5)80/h18-19,29,34-60,71-75,81-91H,6-17,20-28H2,1-5H3,(H,67,76)(H,68,77)(H,69,78)(H,70,79)(H,92,93)(H,94,95)(H,96,97)/b19-18+/t34-,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+,60-,64+,65+,66-/m0/s1

InChIKey

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

Related CIDs

• CID 171364907