Name: Galβ1-3GlcNAcβ1-3Galβ1-4(Fucα1-3)Glc
IUPAC: N-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R)-5,6-dihydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
SMILES:
CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@@H](O)C(O)O[C@@H]3CO)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OCanonical SMILES:
CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)CO)O)O)O)NC(=O)C)O)CO)O)O)O)O)OSummenformel: C32H55NO25
Molare Masse: 853.80
InChIKey: FGJTXYWKOHAINP-MEFWOEMMSA-N
InChI:
PubChem CID: 91849566 →InChI=1S/C32H55NO25/c1-7-14(39)18(43)20(45)30(50-7)58-27-22(47)28(49)51-12(6-37)24(27)55-32-23(48)26(17(42)11(5-36)54-32)57-29-13(33-8(2)38)25(16(41)10(4-35)52-29)56-31-21(46)19(44)15(40)9(3-34)53-31/h7,9-32,34-37,39-49H,3-6H2,1-2H3,(H,33,38)/t7-,9+,10+,11+,12+,13+,14+,15-,16+,17-,18+,19-,20-,21+,22+,23+,24+,25+,26-,27+,28?,29-,30-,31-,32-/m0/s1Synonyme
RefChem:621532GlyTouCan:G47880JMG47880JMSCHEMBL29563355CHEBI:151405FGJTXYWKOHAINP-MEFWOEMMSA-NGal(b1-3)GlcNAc(b1-3)Gal(b1-4)[Fuc(a1-3)]GlcGalbeta1-3GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)Glcbeta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-D-gluco-hexopyranoseN-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R)-5,6-Dihydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamideWURCS=2.0/4,5,4/[a2122h-1x_1-5][a1221m-1a_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-4-3/a3-b1_a4-c1_c3-d1_d3-e1