Sialyl lea tetra

Structural Information

Molecular Formula

C₃₇H₆₂N₂O₂₈

SMILES

C[C@H]1[C@H]([C@H]([C@@H](C(O1)O[C@@H]2[C@H](O[C@H]([C@@H](C2O[C@H]3[C@@H](C([C@H]([C@H](O3)CO)O)O[C@@]4(C[C@@H]([C@H](C(O4)C([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O[C@H]([C@H](C=O)O)[C@H]([C@@H](CO)O)O)CO)O)O)O

InChI

InChI=1S/C37H62N2O28/c1-10-21(51)25(55)26(56)34(60-10)64-29-18(9-44)62-33(63-28(16(50)7-42)22(52)14(48)5-40)20(39-12(3)46)31(29)65-35-27(57)32(24(54)17(8-43)61-35)67-37(36(58)59)4-13(47)19(38-11(2)45)30(66-37)23(53)15(49)6-41/h7,10,13-35,40-41,43-44,47-57H,4-6,8-9H2,1-3H3,(H,38,45)(H,39,46)(H,58,59)/t10-,13-,14+,15+,16-,17+,18+,19+,20+,21+,22-,23?,24-,25+,26-,27+,28+,29+,30?,31?,32?,33-,34?,35-,37-/m0/s1

InChIKey

ARDCDNROJUBBMX-NJMSAGAYSA-N

Compound name

(2S,4S,5R)-5-acetamido-2-[(2R,3R,5S,6R)-2-[(2R,3S,5R,6S)-5-acetamido-2-(hydroxymethyl)-6-[(2R,3S,4S,5R)-2,4,5,6-tetrahydroxy-1-oxohexan-3-yl]oxy-3-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Related CIDs

• CID 53477879