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CHEBI:150679 - (2S,3S,4R,5R,6R)-3-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-Acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxane-2-carboxylic acid

ChEBI IDCHEBI:150679
ChEBI Name(2S,3S,4R,5R,6R)-3-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-Acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC32H53NO27
Net Charge0
Average Mass883.756
Monoisotopic Mass883.28050
SMILESCC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OC[C@H]4O[C@@H](O)[C@H](O)[C@@H](O)[C@H]4O)O[C@@H]3C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/4,5,4/[a2112h-1b_1-5][a2122A-1b_1-5][a2122h-1a_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-4-1/a6-b1_b4-c1_c6-d1_d4-e1
InChIInChI=1S/C32H53NO27/c1-6(36)33-11-15(40)24(58-31-21(46)17(42)12(37)7(2-34)55-31)8(3-35)56-29(11)52-5-10-14(39)18(43)22(47)32(57-10)59-25-19(44)23(48)30(60-26(25)27(49)50)53-4-9-13(38)16(41)20(45)28(51)54-9/h7-26,28-32,34-35,37-48,51H,2-5H2,1H3,(H,33,36)(H,49,50)/t7-,8-,9-,10-,11-,12+,13+,14-,15-,16+,17+,18+,19-,20-,21-,22-,23-,24-,25+,26+,28-,29-,30-,31+,32-/m1/s1
InChIKeyGAGTYQWDIORXCT-XGOQUFFDSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4R,5R,6R)-3-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-Acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxane-2-carboxylic acid (CHEBI:150679) is a oligosaccharide (CHEBI:50699)
Synonyms  Source
Gal(b1-4)GlcNAc(b1-6)Glc(a1-4)GlcA(b1-6)b-GalSUBMITTER
beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-alpha-D-gluco-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranosyluronic acid-(1->6)-beta-D-galacto-hexopyranoseSUBMITTER
Manual XrefsDatabases
G39816YNGlyTouCan
G39816YNGlyGen