EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:149101 - N-[(2R,3R,4R,5S,6R)-4-Hydroxy-5-[(2S,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-(2,3,4,5,6-pentahydroxyhex-3-enoxy)oxan-3-yl]acetamide

ChEBI IDCHEBI:149101
ChEBI NameN-[(2R,3R,4R,5S,6R)-4-Hydroxy-5-[(2S,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-(2,3,4,5,6-pentahydroxyhex-3-enoxy)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC32H55NO25
Net Charge0
Average Mass853.774
Monoisotopic Mass853.30632
SMILESCC(=O)N[C@H]1[C@H](OCC(O)C(O)=C(O)C(O)CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/5,5,4/[hxFFxh][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5]/1-2-3-4-5/a6-b1_b4-c1_c2-d1_c3-e1
InChIInChI=1S/C32H55NO25/c1-8-16(41)22(47)24(49)30(52-8)58-28-27(57-31-25(50)23(48)19(44)12(4-35)53-31)20(45)13(5-36)54-32(28)56-26-14(6-37)55-29(15(21(26)46)33-9(2)38)51-7-11(40)18(43)17(42)10(39)3-34/h8,10-16,19-32,34-37,39-50H,3-7H2,1-2H3,(H,33,38)/t8-,10?,11?,12+,13+,14+,15+,16+,19-,20-,21+,22+,23-,24-,25+,26+,27-,28+,29+,30-,31+,32-/m0/s1
InChIKeyPQCVEKWAIZUEBD-FDOJZRIJSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-4-Hydroxy-5-[(2S,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-(2,3,4,5,6-pentahydroxyhex-3-enoxy)oxan-3-yl]acetamide (CHEBI:149101) is a oligosaccharide (CHEBI:50699)
Manual XrefsDatabases
G30966TUGlyTouCan
G42217SLGlyTouCan
G30966TUGlyGen