EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:146803 - N-[(2R,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-4-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4S,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-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:146803
ChEBI NameN-[(2R,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-4-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4S,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-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC40H70N2O30
Net Charge0
Average Mass1058.984
Monoisotopic Mass1058.40134
SMILESCC(=O)N[C@H]1[C@H](OC[C@@H](O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](CO)NC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/5,6,5/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a2112h-1a_1-5][a1221m-1a_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-3-4-5/a3-b1_a6-f1_b4-c1_c3-d1_d2-e1
InChIInChI=1S/C40H70N2O30/c1-10-20(51)26(57)29(60)37(64-10)72-35-27(58)23(54)16(6-45)67-40(35)71-34-24(55)17(7-46)66-39(31(34)62)70-33-18(8-47)68-38(30(61)28(33)59)69-32(13(4-43)41-11(2)48)21(52)14(50)9-63-36-19(42-12(3)49)25(56)22(53)15(5-44)65-36/h10,13-40,43-47,50-62H,4-9H2,1-3H3,(H,41,48)(H,42,49)/t10-,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-,39+,40+/m0/s1
InChIKeyJGEPKSZYFAKTHI-CQMPPXHPSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-4-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4S,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-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:146803) is a oligosaccharide (CHEBI:50699)
Manual XrefsDatabases
G05324AQGlyTouCan
G05324AQGlyGen