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Substance Name: 3-O-(2-Acetamido-6-O-(N-acetylneuraminyl)-2-deoxygalactosyl)serine
RN: 114661-01-7
InChIKey: RMINQIRDFIBNLE-NNRWGFCXSA-N

Molecular Weight

  • 599.5393
 
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Names and Synonyms

Name of Substance

  • 3-O-(2-Acetamido-6-O-(N-acetylneuraminyl)-2-deoxygalactosyl)serine

Synonyms

  • 3-O-(2-Acetamido-6-O-(N-acetyl-alpha-D-neuraminyl)-2-deoxy-alpha-D-galactosyl)-L-serine
  • Aandgs

Registry Numbers

CAS Registry Number

  • 114661-01-7

System Generated Number

  • 0114661017

Structure Descriptors

InChI

1S/C22H37N3O16/c1-7(27)24-13-10(29)3-22(21(36)37,41-18(13)15(31)11(30)4-26)39-6-12-16(32)17(33)14(25-8(2)28)20(40-12)38-5-9(23)19(34)35/h9-18,20,26,29-33H,3-6,23H2,1-2H3,(H,24,27)(H,25,28)(H,34,35)(H,36,37)/t9-,10-,11+,12+,13+,14+,15+,16-,17+,18+,20-,22+/m0/s1

InChIKey

RMINQIRDFIBNLE-NNRWGFCXSA-N

Smiles

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OC[C@@H](C(=O)O)N)NC(=O)C)O)O)O