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Substance Name: 4-O-Acetyl-alpha-N-acetylneuraminyl-(2-3)-lactose
RN: 53248-77-4
InChIKey: PVXQEIZXNVORAG-CWEQWORQSA-N

Note

  • Main oligosaccharide in Echidna milk.

Molecular Weight

  • 675.586
 
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Names and Synonyms

Name of Substance

  • 4-O-Acetyl-alpha-N-acetylneuraminyl-(2-3)-lactose

Synonym

  • 4-Aanl

Systematic Name

  • D-Glucose, O-(N-acetyl-4-O-acetyl-alpha-neuraminosyl)-(1-3)-O-beta-D-galactopyranosyl-(1-4)-

Registry Numbers

CAS Registry Number

  • 53248-77-4

System Generated Number

  • 0053248774

Structure Descriptors

InChI

1S/C25H41NO20/c1-8(31)26-15-13(42-9(2)32)3-25(24(40)41,45-21(15)17(37)11(34)5-28)46-22-18(38)14(7-30)43-23(19(22)39)44-20(12(35)6-29)16(36)10(33)4-27/h4,10-23,28-30,33-39H,3,5-7H2,1-2H3,(H,26,31)(H,40,41)/t10-,11+,12+,13-,14+,15+,16+,17+,18-,19+,20+,21+,22-,23-,25-/m0/s1

InChIKey

PVXQEIZXNVORAG-CWEQWORQSA-N

Smiles

OC(=O)[C@]1(O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)O[C@H]([C@H](NC(C)=O)[C@H](OC(C)=O)C1)[C@@H]([C@@H](CO)O)O