CHEBI:154961 - (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

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ChEBI Name (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
ChEBI ID CHEBI:154961
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C32H53NO27
Net Charge 0
Average Mass 883.756
Monoisotopic Mass 883.28050
InChI InChI=1S/C32H53NO27/c1-6(38)33-11-14(41)22(56-31-21(48)25(13(40)8(3-35)53-31)59-30-19(46)15(42)16(43)26(60-30)27(49)50)10(5-37)55-29(11)58-24-12(39)7(2-34)54-32(20(24)47)57-23-9(4-36)52-28(51)18(45)17(23)44/h7-26,28-32,34-37,39-48,51H,2-5H2,1H3,(H,33,38)(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
InChIKey NIYYYNUOVGTSEL-HXFMPBRISA-N
SMILES O([C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2O)CO)[C@H](O)[C@H]1NC(=O)C)CO)[C@@H]4[C@@H](O)[C@@H](O[C@@H]([C@@H]4O)CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]5CO)O
ChEBI Ontology
Outgoing (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:154961) is a oligosaccharide (CHEBI:50699)
Synonyms Sources
beta-D-gluco-hexopyranosyluronic acid-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose SUBMITTER
GlcA(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)b-Glc SUBMITTER
WURCS=2.0/4,5,4/[a2122h-1b_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a2122A-1b_1-5]/1-2-3-2-4/a4-b1_b3-c1_c4-d1_d3-e1 SUBMITTER
Manual Xrefs Databases
G87867IZ GlyTouCan
G87867IZ GlyGen
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