Chemical Compound

Trifucosyllacto-N-hexaose

CAS Registry Number 116883-09-1
Trifucosyllacto-N-hexaose chemical structure
Primary Record

Trifucosyllacto-N-hexaose

In stock
5,020 g
Purity
98.7 %
CAS
116883-09-1

Compound Identifiers & Properties

CAS
116883-09-1
PubChem CID
3392565
SMILES
CC1C(C(C(C(O1)OC2C(OC(C(C2OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)C)O)O)O)NC(=O)C)OC5C(C(OC(C5O)OC(C(CO)O)C(C(C=O)O)O)COC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)C)O)O)O)NC(=O)C)O)CO)O)O)O
Canonical SMILES
CC(=O)NC1C(OCC2OC(OC(C(O)CO)C(O)C(O)C=O)C(O)C(OC3OC(CO)C(OC4OC(C)C(O)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C3NC(C)=O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O

Names & Synonyms

  • Trifucosyllacto-N-hexaose
  • TFLNH
  • TFLNH(a)
  • Trifucosyllacto-N-hexaose a
  • AC1MPX8M
  • TFLNH[A]
  • Trifucosyllacto-n-hexaose-a
  • SCHEMBL29438535
  • 116883-09-1
  • C58H98N2O43
  • CID3392565
  • CID 3392565
  • OT182814
  • N-[2-[[4-[3-acetamido-4-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]acetamide
  • Trifucosyllacto-N-hexaose a, from human milk, >=90% (HPLC)
  • N-[2-[[4-[3-acetamido-4-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-6-[1-(1,2-dihydroxyethyl)-2,3-dihydroxy-4-oxo-butoxy]-3,5-dihydroxy-tetrahydropyran-2-yl]methoxy]-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-3-yl]acetamide