66580-68-5, Globotriaose, CAS:66580-68-5

66580-68-5, Globotriaose,
CAS:66580-68-5
C18H32O16 / 504.44
MFCD01076415

Globotriose

an important cell surface epitope that acts as the receptor for Shiga-like toxin.

Alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-D-Glc is a linear trisaccharide comprising D-glucose (at the reducing end) having an alpha-D-galactosyl-(1->4)-beta-D-galactosyl moiety at the 4-position.

CAS Number	66580-68-5
Product Name	Globotriose
IUPAC Name	(2R,3S,4R,5R)-4,5,6-trihydroxy-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
Molecular Formula	C18H32O16
Molecular Weight	504.44 g/mol
InChI	InChI=1S/C18H32O16/c19-1-5(23)9(24)16(34-18-15(30)13(28)11(26)7(3-21)32-18)8(4-22)33-17-14(29)12(27)10(25)6(2-20)31-17/h4-21,23-30H,1-3H2/t5-,6-,7-,8+,9-,10+,11+,12+,13+,14-,15-,16-,17+,18-/m1/s1
InChI Key	FYGDTMLNYKFZSV-ANKSBSNASA-N
SMILES	C(C1C(C(C(C(O1)OC(C=O)C(C(C(CO)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O
Solubility	Soluble in DMSO
Synonyms	Gal-1-4-Gal-1-4-Glc, Galalpha1-4Galbeta1-4Glc, Galp-1-4-Galp-Glcp, globotriaose, globotriose, P(k) trisaccharide
Canonical SMILES	C(C1C(C(C(C(O1)OC(C=O)C(C(C(CO)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O
Isomeric SMILES	C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O