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Substance Name: N-Acetylneuraminoyllactose sulfate ester
RN: 22352-48-3
InChIKey: DGUVEDGWGJXFCX-METZQCMUSA-N

Note

  • Nutrient in milk.

Molecular Formula

  • C23-H39-N-O22-S

Molecular Weight

  • 713.6121
 
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Names and Synonyms

Name of Substance

  • N-Acetylneuraminoyllactose sulfate ester

Synonyms

  • ANLS
  • N-Acetylneuramin lactose sulfate
  • N-Acetylneuraminlactose sulfate

Systematic Name

  • D-Glucopyranose, O-(N-acetyl-alpha-neuraminosyl)-(2-3)-O-6-O-sulfo-beta-D-galactopyranosyl-(1-6)-

Registry Numbers

CAS Registry Number

  • 22352-48-3

System Generated Number

  • 0022352483

Structure Descriptors

InChI

1S/C23H39NO22S/c1-6(27)24-11-7(28)2-23(22(36)37,45-18(11)12(30)8(29)3-25)46-19-13(31)10(5-41-47(38,39)40)43-21(16(19)34)44-17-9(4-26)42-20(35)15(33)14(17)32/h7-21,25-26,28-35H,2-5H2,1H3,(H,24,27)(H,36,37)(H,38,39,40)/t7-,8+,9+,10+,11+,12+,13-,14+,15+,16+,17+,18+,19-,20?,21-,23-/m0/s1

InChIKey

DGUVEDGWGJXFCX-METZQCMUSA-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)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)COS(=O)(=O)O)O)O