EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:147782 - N-[(2S,3R,4R,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[(2R,3R,4R,5R)-4,5,6-trihydroxy-2-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxyoxan-3-yl]acetamide

ChEBI IDCHEBI:147782
ChEBI NameN-[(2S,3R,4R,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[(2R,3R,4R,5R)-4,5,6-trihydroxy-2-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxyoxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC38H65NO28
Net Charge0
Average Mass983.917
Monoisotopic Mass983.36931
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/4,6,5/[a2112h-1x_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5]/1-2-3-4-4-4/a4-b1_a6-f1_b3-c1_b4-e1_c2-d1
InChIInChI=1S/C38H65NO28/c1-8-16(43)20(47)26(53)35(58-8)57-7-14-29(24(51)25(52)33(56)61-14)64-34-15(39-11(4)42)31(30(13(6-41)63-34)65-36-27(54)21(48)17(44)9(2)59-36)66-38-32(23(50)19(46)12(5-40)62-38)67-37-28(55)22(49)18(45)10(3)60-37/h8-10,12-38,40-41,43-56H,5-7H2,1-4H3,(H,39,42)/t8-,9-,10-,12+,13+,14+,15+,16+,17+,18+,19-,20+,21+,22+,23-,24+,25+,26-,27-,28-,29-,30+,31+,32+,33?,34-,35+,36-,37-,38-/m0/s1
InChIKeyJNZAFWLNVLEWLT-HPAHCTMLSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,4R,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[(2R,3R,4R,5R)-4,5,6-trihydroxy-2-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxyoxan-3-yl]acetamide (CHEBI:147782) is a oligosaccharide (CHEBI:50699)
Synonyms  Source
Fuc(a1-2)Gal(b1-3)[Fuc(a1-4)]GlcNAc(b1-4)[Fuc(a1-6)]GalSUBMITTER
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-D-galacto-hexopyranoseSUBMITTER
Manual XrefsDatabases
G12115PEGlyTouCan
G12115PEGlyGen