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CHEBI:157587 - (2R,4S,5R,6R)-2-[[(2R,3R,4R,5R,6S)-5-Acetamido-3,6-dihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-[(1S,2R)-2-[(2S,4S,5R,6R)-2-carboxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:157587
ChEBI Name(2R,4S,5R,6R)-2-[[(2R,3R,4R,5R,6S)-5-Acetamido-3,6-dihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-[(1S,2R)-2-[(2S,4S,5R,6R)-2-carboxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC36H59N3O29
Net Charge0
Average Mass997.860
Monoisotopic Mass997.32342
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO[C@]2(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@@H](CO)O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O3)O2)O[C@@H]1O
WURCSWURCS=2.0/3,4,3/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCCO/3=O]/1-2-3-3/a3-b1_a6-c2_c8-d2
InChIInChI=1S/C36H59N3O29/c1-10(45)37-21-28(65-32-27(56)26(55)23(52)14(5-41)64-32)25(54)16(63-31(21)57)9-62-35(33(58)59)2-11(46)20(39-18(50)8-44)30(67-35)24(53)15(6-42)66-36(34(60)61)3-12(47)19(38-17(49)7-43)29(68-36)22(51)13(48)4-40/h11-16,19-32,40-44,46-48,51-57H,2-9H2,1H3,(H,37,45)(H,38,49)(H,39,50)(H,58,59)(H,60,61)/t11-,12-,13+,14+,15+,16+,19+,20+,21+,22+,23-,24+,25-,26-,27+,28+,29+,30+,31-,32-,35+,36+/m0/s1
InChIKeyQLHGZWBATQAMTH-VVUGJADRSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,4S,5R,6R)-2-[[(2R,3R,4R,5R,6S)-5-Acetamido-3,6-dihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-[(1S,2R)-2-[(2S,4S,5R,6R)-2-carboxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid (CHEBI:157587) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
3,5-dideoxy-5-glycolamido-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->8)-3,5-dideoxy-5-glycolamido-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-[beta-D-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranoseSUBMITTER
NeuGc(a2-8)NeuGc(a2-6)[Gal(b1-3)]a-GalNAcSUBMITTER
Manual XrefsDatabases
G34824ZDGlyTouCan
G34824ZDGlyGen