EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:148941 - N-[(2R,3R,4R,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-3-hydroxy-2-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]-6-[(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-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:148941
ChEBI NameN-[(2R,3R,4R,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-3-hydroxy-2-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]-6-[(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-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC46H78N2O33
Net Charge0
Average Mass1187.111
Monoisotopic Mass1186.44868
SMILESCC(=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](CO[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)O[C@@H](O[C@@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@@H]3NC(C)=O)[C@@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O
WURCSWURCS=2.0/5,7,6/[a2112h-1x_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-2-3-4-5-4-4/a4-b1_a6-g1_b3-c1_b6-f1_c2-d1_c3-e1
InChIInChI=1S/C46H78N2O33/c1-10-21(53)28(60)33(65)43(71-10)69-8-17-26(58)37(20(48-14(5)52)42(77-17)78-36-18(74-40(68)32(64)31(36)63)9-70-44-34(66)29(61)22(54)11(2)72-44)79-46-39(81-45-35(67)30(62)23(55)12(3)73-45)38(25(57)16(7-50)76-46)80-41-19(47-13(4)51)27(59)24(56)15(6-49)75-41/h10-12,15-46,49-50,53-68H,6-9H2,1-5H3,(H,47,51)(H,48,52)/t10-,11-,12-,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?,41+,42-,43+,44+,45-,46-/m0/s1
InChIKeyQCJPDTKUJKPWTM-QEXMSQRQSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-3-hydroxy-2-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]-6-[(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-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:148941) is a oligosaccharide (CHEBI:50699)
Synonyms  Source
Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-3)[Fuc(a1-6)]GlcNAc(b1-4)[Fuc(a1-6)]GalSUBMITTER
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-[2-acetamido-2-deoxy-alpha-D-galacto-hexopyranosyl-(1->3)]-beta-D-galacto-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-D-galacto-hexopyranoseSUBMITTER
Manual XrefsDatabases
G24614TRGlyTouCan
G24614TRGlyGen