CHEBI:157591 - (2S,3S,4R,5R,6R)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3R,4R,5R,6S)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (2S,3S,4R,5R,6R)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3R,4R,5R,6S)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid
ChEBI ID CHEBI:157591
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C31H51NO26
Net Charge 0
Average Mass 853.730
Monoisotopic Mass 853.26993
InChI InChI=1S/C31H51NO26/c1-6(36)32-11-16(41)12(37)7(2-33)51-28(11)57-24-17(42)19(44)29(58-25(24)26(47)48)55-23-15(40)9(4-35)53-31(21(23)46)56-22-14(39)8(3-34)52-30(20(22)45)54-10-5-50-27(49)18(43)13(10)38/h7-25,27-31,33-35,37-46,49H,2-5H2,1H3,(H,32,36)(H,47,48)/t7-,8-,9-,10-,11-,12+,13+,14+,15+,16-,17-,18-,19-,20-,21-,22+,23+,24+,25+,27+,28+,29-,30+,31+/m1/s1
InChIKey KYLYHYKJKPGQGF-SZOMLMIISA-N
SMILES O([C@@H]1[C@@H](O)[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OC3)O)[C@@H]2O)CO)O[C@@H]([C@@H]1O)CO)[C@@H]4O[C@@H]([C@@H](O[C@@H]5O[C@@H]([C@H](O)[C@H](O)[C@H]5NC(=O)C)CO)[C@H](O)[C@H]4O)C(O)=O
ChEBI Ontology
Outgoing (2S,3S,4R,5R,6R)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3R,4R,5R,6S)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid (CHEBI:157591) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms Sources
2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranosyluronic acid-(1->3)-beta-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-alpha-D-xylo-pentopyranose SUBMITTER
GalNAc(b1-4)GlcA(b1-3)Gal(b1-3)Gal(b1-4)a-Xyl SUBMITTER
WURCS=2.0/4,5,4/[a212h-1a_1-5][a2112h-1b_1-5][a2122A-1b_1-5][a2112h-1b_1-5_2*NCC/3=O]/1-2-2-3-4/a4-b1_b3-c1_c3-d1_d4-e1 SUBMITTER
Manual Xrefs Databases
G20749KW GlyTouCan
G20749KW GlyGen
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